N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide

C19H19Cl2N3O2 — CID 119373556

IUPACN-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide
SMILESNC1CCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1
InChIInChI=1S/C19H19Cl2N3O2/c20-14-9-13(10-15(21)11-14)18(25)23-17-3-1-12(2-4-17)19(26)24-7-5-16(22)6-8-24/h1-4,9-11,16H,5-8,22H2,(H,23,25)
InChIKeyJVVSIPPTAGRGFV-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.81
Rot. Bonds3

About N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide

N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide (PubChem CID 119373556) has the molecular formula C19H19Cl2N3O2 and a molecular weight of 392.29 g/mol. Its IUPAC name is N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide.

Molecular Properties

Compound NameN-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide
PubChem CID119373556
Molecular FormulaC19H19Cl2N3O2
Molecular Weight392.29 g/mol
Exact Mass391.09
IUPAC NameN-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide
SMILESNC1CCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1
InChIInChI=1S/C19H19Cl2N3O2/c20-14-9-13(10-15(21)11-14)18(25)23-17-3-1-12(2-4-17)19(26)24-7-5-16(22)6-8-24/h1-4,9-11,16H,5-8,22H2,(H,23,25)
InChIKeyJVVSIPPTAGRGFV-UHFFFAOYSA-N
XLogP3.81
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]-3,5-dichlorobenzamide
CID 119483979
3,5-dichloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 26167664
N-(3,5-dichlorophenyl)-4-(4-methylpiperidine-1-carbonyl)benzamide
CID 109044981
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693
3-chloro-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 17172890
3,5-dichloro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]carbamothioyl]benzamide
CID 17196698
(3-aminopyrrolidin-1-yl)-(4-chlorophenyl)methanone
CID 59657899
3-chloro-N-[4-(piperidine-1-carbonyl)phenyl]benzamide
CID 2970403
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
3,5-dichloro-N-[4-[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidine-1-carbonyl]phenyl]benzamide
CID 97215888
4-(4-aminopiperidine-1-carbonyl)benzoic acid;hydrochloride
CID 178200611
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide?
The IUPAC name of N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide (CID 119373556) is N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide.
What is the SMILES notation for N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide?
The canonical SMILES for N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide is NC1CCN(C(=O)c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3)cc2)CC1.
What is the InChIKey of N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide?
The InChIKey is JVVSIPPTAGRGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2N3O2/c20-14-9-13(10-15(21)11-14)18(25)23-17-3-1-12(2-4-17)19(26)24-7-5-16(22)6-8-24/h1-4,9-11,16H,5-8,22H2,(H,23,25).
What are the key properties of N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide?
N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide has a molecular weight of 392.29 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-aminopiperidine-1-carbonyl)phenyl]-3,5-dichlorobenzamide is sourced from PubChem (CID 119373556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).