N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide

C18H30N2O — CID 45184948

IUPACN-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide
SMILESO=C(NC1CCCN(C2CCCCCC2)C1)C1=CCCC1
InChIInChI=1S/C18H30N2O/c21-18(15-8-5-6-9-15)19-16-10-7-13-20(14-16)17-11-3-1-2-4-12-17/h8,16-17H,1-7,9-14H2,(H,19,21)
InChIKeyJXUNZCYISBOGOW-UHFFFAOYSA-N
MW290.45 g/mol
LogP3.40
Rot. Bonds3

About N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide

N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide (PubChem CID 45184948) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide.

Molecular Properties

Compound NameN-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide
PubChem CID45184948
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC NameN-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide
SMILESO=C(NC1CCCN(C2CCCCCC2)C1)C1=CCCC1
InChIInChI=1S/C18H30N2O/c21-18(15-8-5-6-9-15)19-16-10-7-13-20(14-16)17-11-3-1-2-4-12-17/h8,16-17H,1-7,9-14H2,(H,19,21)
InChIKeyJXUNZCYISBOGOW-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide?
The IUPAC name of N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide (CID 45184948) is N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide.
What is the SMILES notation for N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide?
The canonical SMILES for N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide is O=C(NC1CCCN(C2CCCCCC2)C1)C1=CCCC1.
What is the InChIKey of N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide?
The InChIKey is JXUNZCYISBOGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c21-18(15-8-5-6-9-15)19-16-10-7-13-20(14-16)17-11-3-1-2-4-12-17/h8,16-17H,1-7,9-14H2,(H,19,21).
What are the key properties of N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide?
N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide has a molecular weight of 290.45 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cycloheptylpiperidin-3-yl)cyclopentene-1-carboxamide is sourced from PubChem (CID 45184948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).