N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride

C19H35ClN2O — CID 119784515

IUPACN-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride
SMILESC=CCN(CC1CCCCC1)C(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C19H34N2O.ClH/c1-3-13-21(15-17-7-5-4-6-8-17)19(22)14-16(2)18-9-11-20-12-10-18;/h3,16-18,20H,1,4-15H2,2H3;1H
InChIKeyCXLMMIKDGRVQSC-UHFFFAOYSA-N
MW342.96 g/mol
LogP4.03
Rot. Bonds7

About N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride

N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride (PubChem CID 119784515) has the molecular formula C19H35ClN2O and a molecular weight of 342.96 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride
PubChem CID119784515
Molecular FormulaC19H35ClN2O
Molecular Weight342.96 g/mol
Exact Mass342.24
IUPAC NameN-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride
SMILESC=CCN(CC1CCCCC1)C(=O)CC(C)C1CCNCC1.Cl
InChIInChI=1S/C19H34N2O.ClH/c1-3-13-21(15-17-7-5-4-6-8-17)19(22)14-16(2)18-9-11-20-12-10-18;/h3,16-18,20H,1,4-15H2,2H3;1H
InChIKeyCXLMMIKDGRVQSC-UHFFFAOYSA-N
XLogP4.03
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.96
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-(cyclobutylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119752557
N-methyl-N-pent-4-enyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795382
N,N-bis(cyclopropylmethyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119791148
N-ethyl-N-(2-methylbutyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119816159
N-(cyclooctylmethyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119741883
2-[3-piperidin-3-ylbutanoyl(prop-2-enyl)amino]acetic acid
CID 81043537
N-ethyl-N-(2-methylpropyl)-3-piperidin-4-ylbutanamide
CID 119732319
N,N-bis(2-methoxyethyl)-3-piperidin-4-ylbutanamide
CID 119672639
1-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-piperidin-4-ylbutan-1-one;dihydrochloride
CID 119852053
4-(1-cyclopentylpropan-2-yl)piperidine
CID 131198877
N-(dicyclopropylmethyl)-N-methyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119760613
N-(cyclobutylmethyl)-N-(1-phenylethyl)-3-piperidin-4-ylbutanamide
CID 119799552

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride?
The IUPAC name of N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride (CID 119784515) is N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride.
What is the SMILES notation for N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride?
The canonical SMILES for N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride is C=CCN(CC1CCCCC1)C(=O)CC(C)C1CCNCC1.Cl.
What is the InChIKey of N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride?
The InChIKey is CXLMMIKDGRVQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O.ClH/c1-3-13-21(15-17-7-5-4-6-8-17)19(22)14-16(2)18-9-11-20-12-10-18;/h3,16-18,20H,1,4-15H2,2H3;1H.
What are the key properties of N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride?
N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride has a molecular weight of 342.96 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-3-piperidin-4-yl-N-prop-2-enylbutanamide;hydrochloride is sourced from PubChem (CID 119784515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).