N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide

C20H30N2O2 — CID 30137317

IUPACN-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C20H30N2O2/c23-19-10-6-5-7-17(19)15-22-13-11-16(12-14-22)20(24)21-18-8-3-1-2-4-9-18/h5-7,10,16,18,23H,1-4,8-9,11-15H2,(H,21,24)
InChIKeyJSVQEVYOPRIPQG-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.44
Rot. Bonds4

About N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide

N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide (PubChem CID 30137317) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
PubChem CID30137317
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(Cc2ccccc2O)CC1
InChIInChI=1S/C20H30N2O2/c23-19-10-6-5-7-17(19)15-22-13-11-16(12-14-22)20(24)21-18-8-3-1-2-4-9-18/h5-7,10,16,18,23H,1-4,8-9,11-15H2,(H,21,24)
InChIKeyJSVQEVYOPRIPQG-UHFFFAOYSA-N
XLogP3.44
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

1-[(2-chlorophenyl)methyl]-N-cyclopentylpiperidine-4-carboxamide;oxalic acid
CID 2903315
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-[1-[(2-propan-2-yloxyphenyl)methyl]piperidin-4-yl]cyclohexanecarboxamide
CID 86860877
1-cyclohexyl-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]urea
CID 94453343
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
N-cycloheptyl-1-[(2,4-dimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 1343432
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 2300454
N-[(2R)-butan-2-yl]-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 795617
N-butan-2-yl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 46949906
1-[(2-chlorophenyl)methyl]-N-cyclopropylpyrrolidine-3-carboxamide
CID 166602716
N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide (CID 30137317) is N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(Cc2ccccc2O)CC1.
What is the InChIKey of N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
The InChIKey is JSVQEVYOPRIPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c23-19-10-6-5-7-17(19)15-22-13-11-16(12-14-22)20(24)21-18-8-3-1-2-4-9-18/h5-7,10,16,18,23H,1-4,8-9,11-15H2,(H,21,24).
What are the key properties of N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide?
N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 330.47 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(2-hydroxyphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 30137317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).