1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide

C19H23ClN2O2 — CID 17119178

IUPAC1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O2/c1-3-11-21(12-4-2)19(24)16-9-13-22(14-10-16)18(23)15-5-7-17(20)8-6-15/h3-8,16H,1-2,9-14H2
InChIKeyKZXZITCGUYLMID-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.39
Rot. Bonds6

About 1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide

1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide (PubChem CID 17119178) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
PubChem CID17119178
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C19H23ClN2O2/c1-3-11-21(12-4-2)19(24)16-9-13-22(14-10-16)18(23)15-5-7-17(20)8-6-15/h3-8,16H,1-2,9-14H2
InChIKeyKZXZITCGUYLMID-UHFFFAOYSA-N
XLogP3.39
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.86
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorobenzoyl)-N,N-diethylpiperidine-4-carboxamide
CID 17119192
1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
CID 17223319
N,N-dibutyl-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 17119241
N-benzyl-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 17119215
[1-(4-chlorobenzoyl)piperidin-4-yl]azanium
CID 7183143
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
1-(4-chlorobenzoyl)-N-cyclohexyl-N-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 43025139
N-(2-anilino-2-oxoethyl)-1-(4-chlorobenzoyl)-N-methylpiperidine-4-carboxamide
CID 46822995
1-(4-fluorobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 17223883
(4-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728657
(4-chlorophenyl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 15290353
1-(4-chlorobenzoyl)-N-[(5-methylthiophen-2-yl)methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 46823952

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide (CID 17119178) is 1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide is C=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
The InChIKey is KZXZITCGUYLMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-11-21(12-4-2)19(24)16-9-13-22(14-10-16)18(23)15-5-7-17(20)8-6-15/h3-8,16H,1-2,9-14H2.
What are the key properties of 1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide has a molecular weight of 346.86 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 17119178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).