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

C19H23ClN2O2 — CID 17223319

IUPAC1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2O2/c1-3-11-21(12-4-2)18(23)15-9-13-22(14-10-15)19(24)16-7-5-6-8-17(16)20/h3-8,15H,1-2,9-14H2
InChIKeyOULOPXBRNTUTGS-UHFFFAOYSA-N
MW346.86 g/mol
LogP3.39
Rot. Bonds6

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

1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide (PubChem CID 17223319) has the molecular formula C19H23ClN2O2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
PubChem CID17223319
Molecular FormulaC19H23ClN2O2
Molecular Weight346.86 g/mol
Exact Mass346.14
IUPAC Name1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide
SMILESC=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H23ClN2O2/c1-3-11-21(12-4-2)18(23)15-9-13-22(14-10-15)19(24)16-7-5-6-8-17(16)20/h3-8,15H,1-2,9-14H2
InChIKeyOULOPXBRNTUTGS-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-bis(prop-2-enyl)piperidine-4-carboxamide
CID 17119178
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
(2-chlorophenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 83728656
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-chlorophenyl)methanone
CID 87042975
1-(2-bromobenzoyl)-N,N-dipropylpiperidine-4-carboxamide
CID 113005882
methyl 2-[1-(2-chlorobenzoyl)piperidin-4-yl]acetate
CID 142714825
[1-(2-chlorobenzoyl)piperidin-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 17223445
(2-chlorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 110472965
(2-chlorophenyl)-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 81297532
2-[1-(2-chlorobenzoyl)piperidin-4-yl]-1-piperidin-1-ylethanone
CID 46295282
1-(2-chlorobenzoyl)-N-cyclopentylpiperidine-4-carboxamide
CID 1072799
(2-chlorophenyl)-[4-(propan-2-ylamino)piperidin-1-yl]methanone
CID 90380560

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
The IUPAC name of 1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide (CID 17223319) is 1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide is C=CCN(CC=C)C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of 1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
The InChIKey is OULOPXBRNTUTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O2/c1-3-11-21(12-4-2)18(23)15-9-13-22(14-10-15)19(24)16-7-5-6-8-17(16)20/h3-8,15H,1-2,9-14H2.
What are the key properties of 1-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide?
1-(2-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-(2-chlorobenzoyl)-N,N-bis(prop-2-enyl)piperidine-4-carboxamide is sourced from PubChem (CID 17223319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).