1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide

C13H15Cl2N3O2 — CID 82832980

IUPAC1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1
InChIInChI=1S/C13H15Cl2N3O2/c14-9-4-8(5-10(15)11(9)16)13(20)18-3-1-2-7(6-18)12(17)19/h4-5,7H,1-3,6,16H2,(H2,17,19)
InChIKeyKRDGSPIYRBLWTN-UHFFFAOYSA-N
MW316.19 g/mol
LogP1.91
Rot. Bonds2

About 1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide

1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide (PubChem CID 82832980) has the molecular formula C13H15Cl2N3O2 and a molecular weight of 316.19 g/mol. Its IUPAC name is 1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
PubChem CID82832980
Molecular FormulaC13H15Cl2N3O2
Molecular Weight316.19 g/mol
Exact Mass315.05
IUPAC Name1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1
InChIInChI=1S/C13H15Cl2N3O2/c14-9-4-8(5-10(15)11(9)16)13(20)18-3-1-2-7(6-18)12(17)19/h4-5,7H,1-3,6,16H2,(H2,17,19)
InChIKeyKRDGSPIYRBLWTN-UHFFFAOYSA-N
XLogP1.91
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
CID 43079586
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
(3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide
CID 125436986
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
1-(3-bromo-5-methylbenzoyl)piperidine-3-carboxamide
CID 104851796
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
(3S)-1-(4-bromo-3-chloro-5-methylbenzoyl)pyrrolidine-3-carboxamide
CID 124849667
(4-amino-3,5-dichlorophenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103901173
1-(4-bromo-3-chlorobenzoyl)pyrrolidine-3-carboxamide
CID 113259113
1-(3,5-dichlorobenzoyl)piperidine-3-carboxylic acid
CID 16774326
(4-amino-3,5-dichlorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112548037

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide?
The IUPAC name of 1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide (CID 82832980) is 1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1.
What is the InChIKey of 1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide?
The InChIKey is KRDGSPIYRBLWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O2/c14-9-4-8(5-10(15)11(9)16)13(20)18-3-1-2-7(6-18)12(17)19/h4-5,7H,1-3,6,16H2,(H2,17,19).
What are the key properties of 1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide?
1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide has a molecular weight of 316.19 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 82832980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).