N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide

C18H24N2O2 — CID 71972865

IUPACN-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(O)CC2)c1)C1CC=CC1
InChIInChI=1S/C18H24N2O2/c21-17-8-10-20(11-9-17)13-14-4-3-7-16(12-14)19-18(22)15-5-1-2-6-15/h1-4,7,12,15,17,21H,5-6,8-11,13H2,(H,19,22)
InChIKeyHPQDIDLBHGSJEV-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.55
Rot. Bonds4

About N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide

N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide (PubChem CID 71972865) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
PubChem CID71972865
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide
SMILESO=C(Nc1cccc(CN2CCC(O)CC2)c1)C1CC=CC1
InChIInChI=1S/C18H24N2O2/c21-17-8-10-20(11-9-17)13-14-4-3-7-16(12-14)19-18(22)15-5-1-2-6-15/h1-4,7,12,15,17,21H,5-6,8-11,13H2,(H,19,22)
InChIKeyHPQDIDLBHGSJEV-UHFFFAOYSA-N
XLogP2.55
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]cyclobutanecarboxamide
CID 110921226
4-hydroxy-N-[3-(piperidin-1-ylmethyl)phenyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119852977
(3R)-N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3-methylsulfanylbutanamide
CID 97244995
1-[(3-chlorophenyl)methyl]-N-phenylpiperidine-4-carboxamide
CID 18089102
1-(2-amino-2-oxoethyl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 131935611
N-[3-[2-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methylamino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 56555372
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-2-imidazo[1,5-a]pyridin-7-ylacetamide
CID 167931531
1-methyl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]azepane-2-carboxamide
CID 131900931
4-[3-(pyrrolidin-1-ylmethyl)anilino]cyclohexan-1-ol
CID 106593822
N-[3-(aminomethyl)phenyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 16786515
N-(3-acetamidophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019946
1-(3-methylbutanoyl)-N-[3-(piperidin-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 131934804

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide (CID 71972865) is N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide is O=C(Nc1cccc(CN2CCC(O)CC2)c1)C1CC=CC1.
What is the InChIKey of N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide?
The InChIKey is HPQDIDLBHGSJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c21-17-8-10-20(11-9-17)13-14-4-3-7-16(12-14)19-18(22)15-5-1-2-6-15/h1-4,7,12,15,17,21H,5-6,8-11,13H2,(H,19,22).
What are the key properties of N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide?
N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide has a molecular weight of 300.40 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-hydroxypiperidin-1-yl)methyl]phenyl]cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 71972865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).