4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride

C22H32ClN3O2 — CID 119739180

IUPAC4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C22H31N3O2.ClH/c1-4-13-25(14-5-2)22(27)18-8-10-20(11-9-18)24-21(26)15-17(3)19-7-6-12-23-16-19;/h4-5,8-11,17,19,23H,1-2,6-7,12-16H2,3H3,(H,24,26);1H
InChIKeyHRQAPDHSBFNAEG-UHFFFAOYSA-N
MW405.97 g/mol
LogP3.89
Rot. Bonds9

About 4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride

4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride (PubChem CID 119739180) has the molecular formula C22H32ClN3O2 and a molecular weight of 405.97 g/mol. Its IUPAC name is 4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride
PubChem CID119739180
Molecular FormulaC22H32ClN3O2
Molecular Weight405.97 g/mol
Exact Mass405.22
IUPAC Name4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride
SMILESC=CCN(CC=C)C(=O)c1ccc(NC(=O)CC(C)C2CCCNC2)cc1.Cl
InChIInChI=1S/C22H31N3O2.ClH/c1-4-13-25(14-5-2)22(27)18-8-10-20(11-9-18)24-21(26)15-17(3)19-7-6-12-23-16-19;/h4-5,8-11,17,19,23H,1-2,6-7,12-16H2,3H3,(H,24,26);1H
InChIKeyHRQAPDHSBFNAEG-UHFFFAOYSA-N
XLogP3.89
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.97
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119684908
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
N-[4-[3-(dimethylamino)propanoylamino]phenyl]-3-piperidin-3-ylbutanamide
CID 119868261
N-(2-phenylethyl)-4-(3-piperidin-3-ylbutanoylamino)benzamide
CID 119749180
N-[4-(methylsulfanylmethyl)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119769541
N-(2-anilino-2-oxoethyl)-3-piperidin-3-ylbutanamide
CID 119738344
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625
N-[4-(3-piperidin-3-ylbutanoylamino)phenyl]azepane-1-carboxamide;hydrochloride
CID 119761516
4-(3-piperidin-3-ylbutanoylamino)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 119885625
N-[4-(morpholine-4-carbonyl)phenyl]-3-piperidin-3-ylbutanamide
CID 119712378
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636

Frequently Asked Questions

What is the IUPAC name of 4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride?
The IUPAC name of 4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride (CID 119739180) is 4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride.
What is the SMILES notation for 4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride?
The canonical SMILES for 4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride is C=CCN(CC=C)C(=O)c1ccc(NC(=O)CC(C)C2CCCNC2)cc1.Cl.
What is the InChIKey of 4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride?
The InChIKey is HRQAPDHSBFNAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2.ClH/c1-4-13-25(14-5-2)22(27)18-8-10-20(11-9-18)24-21(26)15-17(3)19-7-6-12-23-16-19;/h4-5,8-11,17,19,23H,1-2,6-7,12-16H2,3H3,(H,24,26);1H.
What are the key properties of 4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride?
4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride has a molecular weight of 405.97 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-piperidin-3-ylbutanoylamino)-N,N-bis(prop-2-enyl)benzamide;hydrochloride is sourced from PubChem (CID 119739180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).