N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

C18H25N3O2 — CID 111696767

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)N[C@@H]3C=C[C@H](CO)C3)CC2)nc1
InChIInChI=1S/C18H25N3O2/c1-13-2-5-17(19-11-13)21-8-6-15(7-9-21)18(23)20-16-4-3-14(10-16)12-22/h2-5,11,14-16,22H,6-10,12H2,1H3,(H,20,23)/t14-,16+/m0/s1
InChIKeyLBEHBKBWTMGSMA-GOEBONIOSA-N
MW315.42 g/mol
LogP1.66
Rot. Bonds4

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 111696767) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
PubChem CID111696767
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
SMILESCc1ccc(N2CCC(C(=O)N[C@@H]3C=C[C@H](CO)C3)CC2)nc1
InChIInChI=1S/C18H25N3O2/c1-13-2-5-17(19-11-13)21-8-6-15(7-9-21)18(23)20-16-4-3-14(10-16)12-22/h2-5,11,14-16,22H,6-10,12H2,1H3,(H,20,23)/t14-,16+/m0/s1
InChIKeyLBEHBKBWTMGSMA-GOEBONIOSA-N
XLogP1.66
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,3S,4R)-3-[[1-(5-methyl-2-pyridinyl)piperidine-4-carbonyl]amino]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 154867230
1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845665
1-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 111630604
2-methyl-1-[1-(5-methyl-2-pyridinyl)piperidin-4-yl]propan-1-one
CID 155710623
N-[3-(hydroxymethyl)phenyl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 110910842
1-(5-methyl-2-pyridinyl)-N-(2H-triazol-4-ylmethyl)piperidine-4-carboxamide
CID 75494567
N-(2-hydroxy-2-propylpentyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 111485089
N-tert-butyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172890921
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide
CID 111972019
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
[(1R,4S)-4-[(5-methyl-2-pyridinyl)methylamino]cyclopent-2-en-1-yl]methanol
CID 103778301
N-(1-benzofuran-2-ylmethyl)-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 126777983

Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 111696767) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(N2CCC(C(=O)N[C@@H]3C=C[C@H](CO)C3)CC2)nc1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
The InChIKey is LBEHBKBWTMGSMA-GOEBONIOSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-13-2-5-17(19-11-13)21-8-6-15(7-9-21)18(23)20-16-4-3-14(10-16)12-22/h2-5,11,14-16,22H,6-10,12H2,1H3,(H,20,23)/t14-,16+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 111696767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).