3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

C28H36ClFN6O2 — CID 67339828

IUPAC3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(=O)N1CCC(NCC(C(=O)N2CCN(c3ncnc4c3[C@H](C)C[C@H]4F)CC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H36ClFN6O2/c1-18-15-24(30)26-25(18)27(33-17-32-26)35-11-13-36(14-12-35)28(38)23(20-3-5-21(29)6-4-20)16-31-22-7-9-34(10-8-22)19(2)37/h3-6,17-18,22-24,31H,7-16H2,1-2H3/t18-,23?,24-/m1/s1
InChIKeyKVSVDELWVVFLQM-ZNKGAOKSSA-N
MW543.09 g/mol
LogP3.68
Rot. Bonds6

About 3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one

3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (PubChem CID 67339828) has the molecular formula C28H36ClFN6O2 and a molecular weight of 543.09 g/mol. Its IUPAC name is 3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
PubChem CID67339828
Molecular FormulaC28H36ClFN6O2
Molecular Weight543.09 g/mol
Exact Mass542.26
IUPAC Name3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
SMILESCC(=O)N1CCC(NCC(C(=O)N2CCN(c3ncnc4c3[C@H](C)C[C@H]4F)CC2)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C28H36ClFN6O2/c1-18-15-24(30)26-25(18)27(33-17-32-26)35-11-13-36(14-12-35)28(38)23(20-3-5-21(29)6-4-20)16-31-22-7-9-34(10-8-22)19(2)37/h3-6,17-18,22-24,31H,7-16H2,1-2H3/t18-,23?,24-/m1/s1
InChIKeyKVSVDELWVVFLQM-ZNKGAOKSSA-N
XLogP3.68
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.09
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-(4-chlorophenyl)-1-[4-[(5R,7S)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 24783594
2-(4-chlorophenyl)-3-(cyclopropylmethylamino)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 67339079
(2S)-2-(4-chlorophenyl)-3-(cyclohexylamino)-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 59671179
(2S)-3-amino-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 24785350
(2S)-2-(4-chlorophenyl)-3-[(4,4-dimethylcyclohexyl)amino]-1-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 59671182
(2S)-2-(4-chlorophenyl)-1-[4-[(7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(piperidin-4-ylamino)propan-1-one
CID 118327420
2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(4-hydroxypiperidin-1-yl)propan-1-one
CID 67339057
(2S)-3-(cyclopropylmethylamino)-2-(3,4-dichlorophenyl)-1-[4-(7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 143607001
2-(4-chloro-3-fluorophenyl)-3-(cyclopropylmethylamino)-1-[4-[(5R,7S)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 67338616
(2R)-2-(4-chlorophenyl)-1-[4-[(5S,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 124565372
(2R)-2-(4-chlorophenyl)-1-[4-[(5R,7S)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one
CID 124560021
[(2R)-2-(4-chlorophenyl)-3-[4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]-3-oxopropyl]carbamic acid
CID 68847077

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one (CID 67339828) is 3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is CC(=O)N1CCC(NCC(C(=O)N2CCN(c3ncnc4c3[C@H](C)C[C@H]4F)CC2)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
The InChIKey is KVSVDELWVVFLQM-ZNKGAOKSSA-N. The full InChI is InChI=1S/C28H36ClFN6O2/c1-18-15-24(30)26-25(18)27(33-17-32-26)35-11-13-36(14-12-35)28(38)23(20-3-5-21(29)6-4-20)16-31-22-7-9-34(10-8-22)19(2)37/h3-6,17-18,22-24,31H,7-16H2,1-2H3/t18-,23?,24-/m1/s1.
What are the key properties of 3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one?
3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one has a molecular weight of 543.09 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetylpiperidin-4-yl)amino]-2-(4-chlorophenyl)-1-[4-[(5R,7R)-7-fluoro-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 67339828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).