4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide

C22H26ClN5O2 — CID 160523142

IUPAC4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3c2C=CC3)CC1
InChIInChI=1S/C22H26ClN5O2/c23-16-6-4-15(5-7-16)18(8-13-29)27-21(30)22(24)9-11-28(12-10-22)20-17-2-1-3-19(17)25-14-26-20/h1-2,4-7,14,18,29H,3,8-13,24H2,(H,27,30)/t18-/m0/s1
InChIKeyQUNSPWPBWYPKMN-SFHVURJKSA-N
MW427.94 g/mol
LogP2.24
Rot. Bonds6

About 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide

4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 160523142) has the molecular formula C22H26ClN5O2 and a molecular weight of 427.94 g/mol. Its IUPAC name is 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID160523142
Molecular FormulaC22H26ClN5O2
Molecular Weight427.94 g/mol
Exact Mass427.18
IUPAC Name4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESNC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3c2C=CC3)CC1
InChIInChI=1S/C22H26ClN5O2/c23-16-6-4-15(5-7-16)18(8-13-29)27-21(30)22(24)9-11-28(12-10-22)20-17-2-1-3-19(17)25-14-26-20/h1-2,4-7,14,18,29H,3,8-13,24H2,(H,27,30)/t18-/m0/s1
InChIKeyQUNSPWPBWYPKMN-SFHVURJKSA-N
XLogP2.24
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.94
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-fluorophenyl)-3-hydroxypropyl]piperidine-4-carboxamide;methane
CID 158240461
4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[(1S)-1-(4-chlorophenyl)propyl]piperidine-4-carboxamide
CID 118053775
4-amino-6-[4-amino-4-[[3-hydroxy-1-(4-methylphenyl)propyl]carbamoyl]piperidin-1-yl]pyrimidine-5-carboxylic acid
CID 175015358
4-amino-1-(6-amino-5-cyanopyrimidin-4-yl)-N-[(1S)-3-hydroxy-1-phenylpropyl]piperidine-4-carboxamide
CID 89446847
4-amino-6-[4-amino-4-[[(1R)-1-(4-chlorophenyl)-2-methoxyethyl]carbamoyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 89446730
(2S,3S,4S,5R,6R)-6-[(3S)-3-[[4-amino-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carbonyl]amino]-3-(4-chlorophenyl)propoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 172866506
4-amino-N-[3-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 68731425
4-amino-1-(6-amino-5-chloropyrimidin-4-yl)-N-[1-(4-chlorophenyl)-2,2,2-trifluoroethyl]piperidine-4-carboxamide
CID 123291872
4-amino-N-[(4-chlorophenyl)methyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide;ethane;ethanol
CID 178015306
tert-butyl N-[4-[1-(4-chlorophenyl)butylcarbamoyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
CID 143788153
4-(7H-cyclopenta[d]pyrimidin-4-yl)-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 159867940
4-amino-N-[3-[4-[[1-[3-amino-5-(3-ethylphenyl)pyridine-2-carbonyl]piperidin-4-yl]methyl]piperazin-1-yl]-1-(4-chlorophenyl)propyl]-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 176578124

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 160523142) is 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is NC1(C(=O)N[C@@H](CCO)c2ccc(Cl)cc2)CCN(c2ncnc3c2C=CC3)CC1.
What is the InChIKey of 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is QUNSPWPBWYPKMN-SFHVURJKSA-N. The full InChI is InChI=1S/C22H26ClN5O2/c23-16-6-4-15(5-7-16)18(8-13-29)27-21(30)22(24)9-11-28(12-10-22)20-17-2-1-3-19(17)25-14-26-20/h1-2,4-7,14,18,29H,3,8-13,24H2,(H,27,30)/t18-/m0/s1.
What are the key properties of 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide?
4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 427.94 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1S)-1-(4-chlorophenyl)-3-hydroxypropyl]-1-(7H-cyclopenta[d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 160523142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).