N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide

C18H19FN4O — CID 75374104

IUPACN-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCN(c2ccc(F)cc2C#N)CC1
InChIInChI=1S/C18H19FN4O/c1-22-8-2-3-17(22)18(24)21-15-6-9-23(10-7-15)16-5-4-14(19)11-13(16)12-20/h2-5,8,11,15H,6-7,9-10H2,1H3,(H,21,24)
InChIKeyCJMJZFSBRAQHDX-UHFFFAOYSA-N
MW326.38 g/mol
LogP2.43
Rot. Bonds3

About N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide

N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide (PubChem CID 75374104) has the molecular formula C18H19FN4O and a molecular weight of 326.38 g/mol. Its IUPAC name is N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide
PubChem CID75374104
Molecular FormulaC18H19FN4O
Molecular Weight326.38 g/mol
Exact Mass326.15
IUPAC NameN-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide
SMILESCn1cccc1C(=O)NC1CCN(c2ccc(F)cc2C#N)CC1
InChIInChI=1S/C18H19FN4O/c1-22-8-2-3-17(22)18(24)21-15-6-9-23(10-7-15)16-5-4-14(19)11-13(16)12-20/h2-5,8,11,15H,6-7,9-10H2,1H3,(H,21,24)
InChIKeyCJMJZFSBRAQHDX-UHFFFAOYSA-N
XLogP2.43
TPSA61.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-4-[(1-methylpyrrole-2-carbonyl)amino]piperidine-1-carboxamide
CID 51105892
methyl 1-(2-cyano-4-fluorophenyl)piperidine-4-carboxylate
CID 63673144
1-(2-cyano-4-fluorophenyl)-3-(1-methylpiperidin-4-yl)urea
CID 78894638
2-(4-acetylpiperazin-1-yl)-5-fluorobenzonitrile
CID 63669542
3-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]amino]-2,4,6-trimethylbenzoic acid;hydrochloride
CID 134500463
tert-butyl N-[1-[2-cyano-4-(4-fluorophenyl)phenyl]pyrrolidin-3-yl]carbamate
CID 77496326
1-[1-(2-cyano-4-nitrophenyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 47054410
N-(3,3-difluorocyclobutyl)-1-methylpyrrole-2-carboxamide
CID 126791351
5-fluoro-2-[4-(methoxymethyl)piperidin-1-yl]benzonitrile
CID 63978241
2-(4-acetyl-1,4-diazepan-1-yl)-5-fluorobenzonitrile
CID 63669215
N-[1-[2-cyano-4-(4-fluorophenyl)phenyl]pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 77219462
(2R,3S)-N-[[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]methyl]-4-hydrazinyl-2,3-dihydroxy-4-methyliminobutanamide
CID 143154102

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide (CID 75374104) is N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide is Cn1cccc1C(=O)NC1CCN(c2ccc(F)cc2C#N)CC1.
What is the InChIKey of N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide?
The InChIKey is CJMJZFSBRAQHDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O/c1-22-8-2-3-17(22)18(24)21-15-6-9-23(10-7-15)16-5-4-14(19)11-13(16)12-20/h2-5,8,11,15H,6-7,9-10H2,1H3,(H,21,24).
What are the key properties of N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide?
N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide has a molecular weight of 326.38 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyano-4-fluorophenyl)piperidin-4-yl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 75374104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).