N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide

C15H28N2O — CID 62587221

IUPACN-(2-piperidin-4-ylethyl)cycloheptanecarboxamide
SMILESO=C(NCCC1CCNCC1)C1CCCCCC1
InChIInChI=1S/C15H28N2O/c18-15(14-5-3-1-2-4-6-14)17-12-9-13-7-10-16-11-8-13/h13-14,16H,1-12H2,(H,17,18)
InChIKeyNDTHQQCLRQISQC-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.46
Rot. Bonds4

About N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide

N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide (PubChem CID 62587221) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide.

Molecular Properties

Compound NameN-(2-piperidin-4-ylethyl)cycloheptanecarboxamide
PubChem CID62587221
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(2-piperidin-4-ylethyl)cycloheptanecarboxamide
SMILESO=C(NCCC1CCNCC1)C1CCCCCC1
InChIInChI=1S/C15H28N2O/c18-15(14-5-3-1-2-4-6-14)17-12-9-13-7-10-16-11-8-13/h13-14,16H,1-12H2,(H,17,18)
InChIKeyNDTHQQCLRQISQC-UHFFFAOYSA-N
XLogP2.46
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-pyrrolidin-3-ylethyl)cycloheptanecarboxamide;hydrochloride
CID 119537193
N-(2-cyclopentylethyl)cyclopentanecarboxamide
CID 110874283
N-(2-piperidin-4-ylethyl)oxane-4-carboxamide
CID 62907394
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide
CID 60894096
N-(2-piperidin-3-ylethyl)cyclobutanecarboxamide;hydrochloride
CID 119557894
N-[2-[(2-cyclohexylacetyl)amino]ethyl]piperidine-4-carboxamide
CID 119313809
N-(2-piperazin-1-ylethyl)cyclooctanecarboxamide
CID 65019297
N-(3-piperidin-4-yloxypropyl)cycloheptanecarboxamide
CID 63869278
N-(3-cyclohexylpropyl)piperidine-3-carboxamide
CID 119289859
N-(2-piperidin-4-ylethyl)acetamide;hydrochloride
CID 70084913
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]cyclopentanecarboxamide
CID 104972065
N-(2-cyclobutylethyl)-3-piperidin-4-ylpropanamide
CID 115870643

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide?
The IUPAC name of N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide (CID 62587221) is N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide.
What is the SMILES notation for N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide?
The canonical SMILES for N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide is O=C(NCCC1CCNCC1)C1CCCCCC1.
What is the InChIKey of N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide?
The InChIKey is NDTHQQCLRQISQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c18-15(14-5-3-1-2-4-6-14)17-12-9-13-7-10-16-11-8-13/h13-14,16H,1-12H2,(H,17,18).
What are the key properties of N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide?
N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-4-ylethyl)cycloheptanecarboxamide is sourced from PubChem (CID 62587221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).