N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide

C15H24N2O2 — CID 126804577

IUPACN-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide
SMILESCCC=CC(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C15H24N2O2/c1-2-3-6-14(18)17-9-4-5-13(11-17)15(19)16-10-12-7-8-12/h3,6,12-13H,2,4-5,7-11H2,1H3,(H,16,19)
InChIKeyKOTATGMEEAJFSX-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.72
Rot. Bonds5

About N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide

N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide (PubChem CID 126804577) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide
PubChem CID126804577
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC NameN-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide
SMILESCCC=CC(=O)N1CCCC(C(=O)NCC2CC2)C1
InChIInChI=1S/C15H24N2O2/c1-2-3-6-14(18)17-9-4-5-13(11-17)15(19)16-10-12-7-8-12/h3,6,12-13H,2,4-5,7-11H2,1H3,(H,16,19)
InChIKeyKOTATGMEEAJFSX-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopropylmethyl)-1-[2-(methylamino)acetyl]piperidine-3-carboxamide;hydrochloride
CID 119724080
N-(cyclopropylmethyl)-1-(pyrrolidine-2-carbonyl)piperidine-3-carboxamide
CID 119289774
N-(cyclopropylmethyl)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidine-3-carboxamide
CID 111331904
cis-(1R,3S)-3-[3-(cyclopropylmethylcarbamoyl)piperidine-1-carbonyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122065336
N-(cyclopropylmethyl)-1-(piperidine-2-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119289763
methyl (E)-4-oxo-4-[3-(2,2,2-trifluoroethylcarbamoyl)piperidin-1-yl]but-2-enoate
CID 146099473
N-(cyclopropylmethyl)-1-(7-hydroxyoctanoyl)piperidine-3-carboxamide
CID 126829314
(3R)-N-(cyclopropylmethyl)-1-[2-(tetrazol-1-yl)acetyl]piperidine-3-carboxamide
CID 94182054
(3R)-1-(2-chloroprop-2-enyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161409
N-[(4-ethylcyclohexyl)methyl]pyrrolidine-1-carboxamide
CID 115590481
3-N-[(3-hydroxycyclobutyl)methyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 66004333
N-[[4-[(cyclopentanecarbonylamino)methyl]cyclohexyl]methyl]cyclopentanecarboxamide
CID 125471839

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide (CID 126804577) is N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide is CCC=CC(=O)N1CCCC(C(=O)NCC2CC2)C1.
What is the InChIKey of N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide?
The InChIKey is KOTATGMEEAJFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-2-3-6-14(18)17-9-4-5-13(11-17)15(19)16-10-12-7-8-12/h3,6,12-13H,2,4-5,7-11H2,1H3,(H,16,19).
What are the key properties of N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide?
N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-pent-2-enoylpiperidine-3-carboxamide is sourced from PubChem (CID 126804577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).