5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid

C20H20ClN3O4 — CID 50782912

IUPAC5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid
SMILESNC(=O)C1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)O)c2)CC1
InChIInChI=1S/C20H20ClN3O4/c21-14-3-1-13(2-4-14)19(26)23-17-6-5-15(11-16(17)20(27)28)24-9-7-12(8-10-24)18(22)25/h1-6,11-12H,7-10H2,(H2,22,25)(H,23,26)(H,27,28)
InChIKeyAQOVYFRGZPWBEX-UHFFFAOYSA-N
MW401.85 g/mol
LogP2.99
Rot. Bonds5

About 5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid

5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid (PubChem CID 50782912) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid
PubChem CID50782912
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid
SMILESNC(=O)C1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)O)c2)CC1
InChIInChI=1S/C20H20ClN3O4/c21-14-3-1-13(2-4-14)19(26)23-17-6-5-15(11-16(17)20(27)28)24-9-7-12(8-10-24)18(22)25/h1-6,11-12H,7-10H2,(H2,22,25)(H,23,26)(H,27,28)
InChIKeyAQOVYFRGZPWBEX-UHFFFAOYSA-N
XLogP2.99
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-carbamoylpiperidin-1-yl)-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 50782723
2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid
CID 50782697
2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
CID 50782097
5-amino-2-[(4-chlorobenzoyl)amino]benzoic acid
CID 63115662
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-5,6-dichloropyridine-3-carboxamide
CID 60609001
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
2-[(4-chlorobenzoyl)amino]-5-[4-[2-(3-methoxypropylamino)-2-oxoethyl]piperazin-1-yl]benzoic acid
CID 50781865
2-[(4-methylbenzoyl)amino]-5-(4-propylpiperazin-1-yl)benzoic acid
CID 50782003
2-[(4-bromobenzoyl)amino]-5-(4-propylpiperazin-1-yl)benzoic acid
CID 50782463
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
5-(4-ethylpiperazin-1-yl)-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 50782098

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid?
The IUPAC name of 5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid (CID 50782912) is 5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid?
The canonical SMILES for 5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid is NC(=O)C1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)c(C(=O)O)c2)CC1.
What is the InChIKey of 5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid?
The InChIKey is AQOVYFRGZPWBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c21-14-3-1-13(2-4-14)19(26)23-17-6-5-15(11-16(17)20(27)28)24-9-7-12(8-10-24)18(22)25/h1-6,11-12H,7-10H2,(H2,22,25)(H,23,26)(H,27,28).
What are the key properties of 5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid?
5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid has a molecular weight of 401.85 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbamoylpiperidin-1-yl)-2-[(4-chlorobenzoyl)amino]benzoic acid is sourced from PubChem (CID 50782912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).