N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride

C15H29ClN2O — CID 119795382

IUPACN-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESC=CCCCN(C)C(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-4-5-6-11-17(3)15(18)12-13(2)14-7-9-16-10-8-14;/h4,13-14,16H,1,5-12H2,2-3H3;1H
InChIKeyCJMKCJBCOIBPRE-UHFFFAOYSA-N
MW288.86 g/mol
LogP2.86
Rot. Bonds7

About N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride

N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride (PubChem CID 119795382) has the molecular formula C15H29ClN2O and a molecular weight of 288.86 g/mol. Its IUPAC name is N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride
PubChem CID119795382
Molecular FormulaC15H29ClN2O
Molecular Weight288.86 g/mol
Exact Mass288.20
IUPAC NameN-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride
SMILESC=CCCCN(C)C(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C15H28N2O.ClH/c1-4-5-6-11-17(3)15(18)12-13(2)14-7-9-16-10-8-14;/h4,13-14,16H,1,5-12H2,2-3H3;1H
InChIKeyCJMKCJBCOIBPRE-UHFFFAOYSA-N
XLogP2.86
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.86
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-pent-4-enylpiperidine-4-carboxamide;hydrochloride
CID 119330191
N-methyl-N-pent-4-enyl-3-piperidin-4-ylpropanamide
CID 113343495
N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride
CID 119784515
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119760613
N-methyl-N-[3-(4-methylsulfonylphenoxy)propyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119753806
N-butyl-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119672315
4-[3-cyclohexylbutanoyl(methyl)amino]butanoic acid
CID 119172655
N-(4,4-dimethylcyclohexyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119791939
N-cyclopropyl-N-ethyl-3-piperidin-4-ylbutanamide
CID 119718930
N,N-bis(2-methoxyethyl)-3-piperidin-4-ylbutanamide
CID 119672639
N-(furan-2-ylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119958310
N-methyl-N-(3-methylcyclohexyl)-3-piperidin-4-ylbutanamide
CID 119717321

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride?
The IUPAC name of N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride (CID 119795382) is N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride.
What is the SMILES notation for N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride?
The canonical SMILES for N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride is C=CCCCN(C)C(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride?
The InChIKey is CJMKCJBCOIBPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O.ClH/c1-4-5-6-11-17(3)15(18)12-13(2)14-7-9-16-10-8-14;/h4,13-14,16H,1,5-12H2,2-3H3;1H.
What are the key properties of N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride?
N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride has a molecular weight of 288.86 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride is sourced from PubChem (CID 119795382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).