N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide

C17H30N2O — CID 45197328

IUPACN-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide
SMILESC=CCCC(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H30N2O/c1-2-3-11-17(20)18-16-10-7-12-19(14-16)13-15-8-5-4-6-9-15/h2,15-16H,1,3-14H2,(H,18,20)
InChIKeySQAXJNDAQBEJQZ-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.11
Rot. Bonds6

About N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide

N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide (PubChem CID 45197328) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide.

Molecular Properties

Compound NameN-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide
PubChem CID45197328
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide
SMILESC=CCCC(=O)NC1CCCN(CC2CCCCC2)C1
InChIInChI=1S/C17H30N2O/c1-2-3-11-17(20)18-16-10-7-12-19(14-16)13-15-8-5-4-6-9-15/h2,15-16H,1,3-14H2,(H,18,20)
InChIKeySQAXJNDAQBEJQZ-UHFFFAOYSA-N
XLogP3.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide?
The IUPAC name of N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide (CID 45197328) is N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide.
What is the SMILES notation for N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide?
The canonical SMILES for N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide is C=CCCC(=O)NC1CCCN(CC2CCCCC2)C1.
What is the InChIKey of N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide?
The InChIKey is SQAXJNDAQBEJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-2-3-11-17(20)18-16-10-7-12-19(14-16)13-15-8-5-4-6-9-15/h2,15-16H,1,3-14H2,(H,18,20).
What are the key properties of N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide?
N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide has a molecular weight of 278.44 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclohexylmethyl)piperidin-3-yl]pent-4-enamide is sourced from PubChem (CID 45197328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).