N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide

C15H28N2O — CID 21136027

IUPACN-(1-butylpiperidin-4-yl)cyclopentanecarboxamide
SMILESCCCCN1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-10-17-11-8-14(9-12-17)16-15(18)13-6-4-5-7-13/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyJTNOEUGBJBGNQP-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.56
Rot. Bonds5

About N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide

N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide (PubChem CID 21136027) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)cyclopentanecarboxamide
PubChem CID21136027
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC NameN-(1-butylpiperidin-4-yl)cyclopentanecarboxamide
SMILESCCCCN1CCC(NC(=O)C2CCCC2)CC1
InChIInChI=1S/C15H28N2O/c1-2-3-10-17-11-8-14(9-12-17)16-15(18)13-6-4-5-7-13/h13-14H,2-12H2,1H3,(H,16,18)
InChIKeyJTNOEUGBJBGNQP-UHFFFAOYSA-N
XLogP2.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide (CID 21136027) is N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide is CCCCN1CCC(NC(=O)C2CCCC2)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide?
The InChIKey is JTNOEUGBJBGNQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-2-3-10-17-11-8-14(9-12-17)16-15(18)13-6-4-5-7-13/h13-14H,2-12H2,1H3,(H,16,18).
What are the key properties of N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide?
N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide has a molecular weight of 252.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)cyclopentanecarboxamide is sourced from PubChem (CID 21136027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).