N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide

C24H25Cl2N3O3 — CID 46410305

IUPACN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)c1ccc(CN(C(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C2CC2)cc1
InChIInChI=1S/C24H25Cl2N3O3/c25-20-10-7-17(12-21(20)26)23(31)28-11-1-2-18(14-28)24(32)29(19-8-9-19)13-15-3-5-16(6-4-15)22(27)30/h3-7,10,12,18-19H,1-2,8-9,11,13-14H2,(H2,27,30)
InChIKeyPAWSAGCFQMLPOU-UHFFFAOYSA-N
MW474.39 g/mol
LogP4.14
Rot. Bonds6

About N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide

N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide (PubChem CID 46410305) has the molecular formula C24H25Cl2N3O3 and a molecular weight of 474.39 g/mol. Its IUPAC name is N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
PubChem CID46410305
Molecular FormulaC24H25Cl2N3O3
Molecular Weight474.39 g/mol
Exact Mass473.13
IUPAC NameN-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)c1ccc(CN(C(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C2CC2)cc1
InChIInChI=1S/C24H25Cl2N3O3/c25-20-10-7-17(12-21(20)26)23(31)28-11-1-2-18(14-28)24(32)29(19-8-9-19)13-15-3-5-16(6-4-15)22(27)30/h3-7,10,12,18-19H,1-2,8-9,11,13-14H2,(H2,27,30)
InChIKeyPAWSAGCFQMLPOU-UHFFFAOYSA-N
XLogP4.14
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide with MolForge

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Related Compounds

1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 46592114
1-(4-chlorobenzoyl)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 55396606
1-(3,4-dichlorobenzoyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 56510249
[1-[1-(3,4-dichlorobenzoyl)piperidine-3-carbonyl]piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 55632984
[1-(3,4-dichlorobenzoyl)piperidin-3-yl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 60589629
(3,4-dichlorophenyl)-(3-hydroxypiperidin-1-yl)methanone
CID 43390830
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
N-[2-(aminomethyl)cyclopentyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide;hydrochloride
CID 119604378
(3R)-1-(4-chlorobenzoyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpiperidine-3-carboxamide
CID 40985102
N-[2-(azepan-1-yl)ethyl]-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide
CID 55632873
1-(3,4-dichlorobenzoyl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 55633629
1-(3,4-dichlorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78863646

Frequently Asked Questions

What is the IUPAC name of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide (CID 46410305) is N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide is NC(=O)c1ccc(CN(C(=O)C2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)C2CC2)cc1.
What is the InChIKey of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is PAWSAGCFQMLPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N3O3/c25-20-10-7-17(12-21(20)26)23(31)28-11-1-2-18(14-28)24(32)29(19-8-9-19)13-15-3-5-16(6-4-15)22(27)30/h3-7,10,12,18-19H,1-2,8-9,11,13-14H2,(H2,27,30).
What are the key properties of N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide?
N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 474.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-carbamoylphenyl)methyl]-N-cyclopropyl-1-(3,4-dichlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 46410305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).