1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one

C29H31FN4O3 — CID 11576984

IUPAC1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one
SMILESCCC(=O)C1(c2ccccc2)CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)CC1
InChIInChI=1S/C29H31FN4O3/c1-2-25(35)29(21-8-4-3-5-9-21)12-14-33(15-13-29)27(36)23-20-31-28(34-16-18-37-19-17-34)32-26(23)22-10-6-7-11-24(22)30/h3-11,20H,2,12-19H2,1H3
InChIKeyUMMYPVQVVUFNJZ-UHFFFAOYSA-N
MW502.59 g/mol
LogP4.27
Rot. Bonds6

About 1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one

1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one (PubChem CID 11576984) has the molecular formula C29H31FN4O3 and a molecular weight of 502.59 g/mol. Its IUPAC name is 1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one
PubChem CID11576984
Molecular FormulaC29H31FN4O3
Molecular Weight502.59 g/mol
Exact Mass502.24
IUPAC Name1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one
SMILESCCC(=O)C1(c2ccccc2)CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)CC1
InChIInChI=1S/C29H31FN4O3/c1-2-25(35)29(21-8-4-3-5-9-21)12-14-33(15-13-29)27(36)23-20-31-28(34-16-18-37-19-17-34)32-26(23)22-10-6-7-11-24(22)30/h3-11,20H,2,12-19H2,1H3
InChIKeyUMMYPVQVVUFNJZ-UHFFFAOYSA-N
XLogP4.27
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.59
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-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

2-fluoro-N-{2-[5-methyl-6-(morpholin-4-yl)pyridin-3-yl]propan-2-yl}-9-oxo-9,10-dihydroacridine-3-carboxamide
CID 16748745
[4-(2-Ethoxyethyl)piperazin-1-yl]-[2-[[4-[[(5-fluoropyrimidin-2-yl)amino]methyl]phenyl]methylamino]-4-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 23653628
Preparation of n-(cyanomethyl)-4-(5-methyl-2-((4-(4-morpholinopiperidin-1-yl)phenyl)amino)pyrimidin-4-yl)benzamide
CID 117858546
N-(3,5-bis(trifluoromethyl)benzyl)-N-methyl-2-(4-methylpiperazin-1-yl)-4-o-tolylpyrimidine-5-carboxamide
CID 9850565
N-(cyanomethyl)-4-(5-methyl-2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide
CID 25059112
N-(cyanomethyl)-4-(2-(3-fluoro-4-morpholinophenylamino)pyrimidin-4-yl)benzamide
CID 25059626
N-(cyanomethyl)-N-methyl-4-(2-(4-morpholinophenylamino)pyrimidin-4-yl)benzamide
CID 25063023
1-Butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4-methylpiperidin-4-yl)-3-(4-fluorobenzyl)-3,9-diazaspiro[5.5]undecan-2-one
CID 25230773
Preparation of n-(cyanomethyl)-4-(2-((4-(4-morpholinopiperidin-1-yl)phenyl)amino)pyrimidin-4-yl)benzamide
CID 117858132
Jak-IN-20
CID 117858429
[4-[5-[2-(6-Amino-3-pyridinyl)ethynyl]-6-ethylpyrimidin-4-yl]-2,6-difluorophenyl]-(4-morpholin-4-ylpiperidin-1-yl)methanone
CID 58072888
1-[4-[6-(2-Acetylphenyl)pyridin-3-yl]pyrimidin-2-yl]-3-[3-morpholin-4-yl-5-(trifluoromethyl)phenyl]urea
CID 46224473

Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one?
The IUPAC name of 1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one (CID 11576984) is 1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one.
What is the SMILES notation for 1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one?
The canonical SMILES for 1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one is CCC(=O)C1(c2ccccc2)CCN(C(=O)c2cnc(N3CCOCC3)nc2-c2ccccc2F)CC1.
What is the InChIKey of 1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one?
The InChIKey is UMMYPVQVVUFNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31FN4O3/c1-2-25(35)29(21-8-4-3-5-9-21)12-14-33(15-13-29)27(36)23-20-31-28(34-16-18-37-19-17-34)32-26(23)22-10-6-7-11-24(22)30/h3-11,20H,2,12-19H2,1H3.
What are the key properties of 1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one?
1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one has a molecular weight of 502.59 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-(2-fluorophenyl)-2-morpholin-4-ylpyrimidine-5-carbonyl]-4-phenylpiperidin-4-yl]propan-1-one is sourced from PubChem (CID 11576984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).