N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide

C21H30N2O2 — CID 2300454

IUPACN-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H30N2O2/c24-20(16-17-8-4-3-5-9-17)23-14-12-18(13-15-23)21(25)22-19-10-6-1-2-7-11-19/h3-5,8-9,18-19H,1-2,6-7,10-16H2,(H,22,25)
InChIKeyRDJSTMQYPPMTHF-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.31
Rot. Bonds4

About N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide

N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide (PubChem CID 2300454) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
PubChem CID2300454
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC NameN-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCN(C(=O)Cc2ccccc2)CC1
InChIInChI=1S/C21H30N2O2/c24-20(16-17-8-4-3-5-9-17)23-14-12-18(13-15-23)21(25)22-19-10-6-1-2-7-11-19/h3-5,8-9,18-19H,1-2,6-7,10-16H2,(H,22,25)
InChIKeyRDJSTMQYPPMTHF-UHFFFAOYSA-N
XLogP3.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 84514889
N-[1-(2-phenylacetyl)piperidin-4-yl]cyclohexanecarboxamide
CID 2817995
N-cycloheptyl-1-[2-(3-methylphenyl)acetyl]piperidine-4-carboxamide
CID 113005452
N-[1-[2-(4-chlorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 108559585
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
N-cycloheptyl-1-(2-thiophen-2-ylacetyl)piperidine-4-carboxamide
CID 113005435
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-phenylethanone
CID 113005998
N-[1-[2-(4-aminophenyl)acetyl]piperidin-4-yl]cyclopropanecarboxamide
CID 119702473
(2R)-N-cycloheptyl-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95190248
N-[1-(3-phenylpropanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 110820836
1-(2-phenylacetyl)-N-pyrrolidin-3-ylpiperidine-3-carboxamide
CID 119454204

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide (CID 2300454) is N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide is O=C(NC1CCCCCC1)C1CCN(C(=O)Cc2ccccc2)CC1.
What is the InChIKey of N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide?
The InChIKey is RDJSTMQYPPMTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c24-20(16-17-8-4-3-5-9-17)23-14-12-18(13-15-23)21(25)22-19-10-6-1-2-7-11-19/h3-5,8-9,18-19H,1-2,6-7,10-16H2,(H,22,25).
What are the key properties of N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide?
N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide has a molecular weight of 342.48 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-(2-phenylacetyl)piperidine-4-carboxamide is sourced from PubChem (CID 2300454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).