N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide

C22H22N4O2 — CID 134803693

IUPACN-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESN#Cc1cccnc1-c1ccc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c23-14-18-2-1-11-24-20(18)15-3-7-17(8-4-15)22(28)26-12-9-19(10-13-26)25-21(27)16-5-6-16/h1-4,7-8,11,16,19H,5-6,9-10,12-13H2,(H,25,27)
InChIKeyTWZXWTPOPXVYHH-UHFFFAOYSA-N
MW374.44 g/mol
LogP2.75
Rot. Bonds4

About N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide

N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide (PubChem CID 134803693) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
PubChem CID134803693
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
SMILESN#Cc1cccnc1-c1ccc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H22N4O2/c23-14-18-2-1-11-24-20(18)15-3-7-17(8-4-15)22(28)26-12-9-19(10-13-26)25-21(27)16-5-6-16/h1-4,7-8,11,16,19H,5-6,9-10,12-13H2,(H,25,27)
InChIKeyTWZXWTPOPXVYHH-UHFFFAOYSA-N
XLogP2.75
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(4-methylbenzoyl)piperidin-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673425
N-[1-(4-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820327
N-(1-benzoylpiperidin-4-yl)cyclopentanecarboxamide
CID 110820191
N-cyclopentyl-1-(4-pyrimidin-5-ylbenzoyl)piperidine-4-carboxamide
CID 134800129
N-[1-[4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46446205
N-[1-(4-nitrobenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817993
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
N-[1-(3-cyanobenzoyl)piperidin-4-yl]pyridine-2-carboxamide
CID 110820497
(3R)-N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-1,1-dioxothiolane-3-carboxamide
CID 125444340
N-[1-(2-aminobenzoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 60960262
N-cyclopentyl-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 26017391
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide (CID 134803693) is N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide is N#Cc1cccnc1-c1ccc(C(=O)N2CCC(NC(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
The InChIKey is TWZXWTPOPXVYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c23-14-18-2-1-11-24-20(18)15-3-7-17(8-4-15)22(28)26-12-9-19(10-13-26)25-21(27)16-5-6-16/h1-4,7-8,11,16,19H,5-6,9-10,12-13H2,(H,25,27).
What are the key properties of N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide?
N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide has a molecular weight of 374.44 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-cyano-2-pyridinyl)benzoyl]piperidin-4-yl]cyclopropanecarboxamide is sourced from PubChem (CID 134803693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).