N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide

C17H24N2O2 — CID 110895511

IUPACN-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1ccc(C(NC(=O)N2CCCC(O)C2)C2CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-4-6-13(7-5-12)16(14-8-9-14)18-17(21)19-10-2-3-15(20)11-19/h4-7,14-16,20H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyRRUFIFQVKYCCOZ-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.61
Rot. Bonds3

About N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide

N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide (PubChem CID 110895511) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
PubChem CID110895511
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide
SMILESCc1ccc(C(NC(=O)N2CCCC(O)C2)C2CC2)cc1
InChIInChI=1S/C17H24N2O2/c1-12-4-6-13(7-5-12)16(14-8-9-14)18-17(21)19-10-2-3-15(20)11-19/h4-7,14-16,20H,2-3,8-11H2,1H3,(H,18,21)
InChIKeyRRUFIFQVKYCCOZ-UHFFFAOYSA-N
XLogP2.61
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(dicyclopropylmethyl)-3-hydroxypiperidine-1-carboxamide
CID 110895589
2-[[cyclopropyl-(4-methylphenyl)methyl]amino]-1-piperidin-1-ylethanone
CID 115576039
2-(azepan-1-yl)-N-[cyclopropyl-(4-methylphenyl)methyl]acetamide
CID 46526961
N-[1-(4-cyanophenyl)ethyl]-3-hydroxypiperidine-1-carboxamide
CID 110896566
(3S)-1-[1-(4-methylphenyl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81119655
1-[[cyclobutyl-(4-fluorophenyl)methyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000877
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
N-[cyclopentyl(phenyl)methyl]-3-methylpyrrolidine-1-carboxamide
CID 86880652
(3R)-N-[(R)-cyclobutyl-(4-fluorophenyl)methyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95977904
N-[4-(1-aminoethyl)phenyl]-3-hydroxypiperidine-1-carboxamide
CID 61438878
(3R)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165775
(3S)-3-hydroxy-N-[4-(propan-2-ylcarbamoyl)phenyl]piperidine-1-carboxamide
CID 94165774

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide (CID 110895511) is N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide is Cc1ccc(C(NC(=O)N2CCCC(O)C2)C2CC2)cc1.
What is the InChIKey of N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
The InChIKey is RRUFIFQVKYCCOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-12-4-6-13(7-5-12)16(14-8-9-14)18-17(21)19-10-2-3-15(20)11-19/h4-7,14-16,20H,2-3,8-11H2,1H3,(H,18,21).
What are the key properties of N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide?
N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methylphenyl)methyl]-3-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 110895511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).