1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid

C17H23N3O6S — CID 122085287

IUPAC1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H23N3O6S/c1-26-14-7-6-13(9-15(14)27(24,25)19-12-4-5-12)18-17(23)20-8-2-3-11(10-20)16(21)22/h6-7,9,11-12,19H,2-5,8,10H2,1H3,(H,18,23)(H,21,22)
InChIKeyNDNMEAVVHTYRDX-UHFFFAOYSA-N
MW397.45 g/mol
LogP1.46
Rot. Bonds6

About 1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid

1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122085287) has the molecular formula C17H23N3O6S and a molecular weight of 397.45 g/mol. Its IUPAC name is 1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122085287
Molecular FormulaC17H23N3O6S
Molecular Weight397.45 g/mol
Exact Mass397.13
IUPAC Name1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C17H23N3O6S/c1-26-14-7-6-13(9-15(14)27(24,25)19-12-4-5-12)18-17(23)20-8-2-3-11(10-20)16(21)22/h6-7,9,11-12,19H,2-5,8,10H2,1H3,(H,18,23)(H,21,22)
InChIKeyNDNMEAVVHTYRDX-UHFFFAOYSA-N
XLogP1.46
TPSA125.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-bromo-3-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82861069
N-cyclopentyl-2-methoxy-5-(piperidine-1-carbonyl)benzenesulfonamide
CID 4060589
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclohexane-1-carboxamide
CID 119331491
1-[(2,4,5-trimethoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122087120
2-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]-2-methylpropanamide;hydrochloride
CID 119331466
1-[(3,4-dipropoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122074194
(3S)-1-[(5-chloro-2-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 81121106
1-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]cyclopropane-1-carboxamide
CID 119797467
1-[(3-bromo-5-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82860741
(3S)-1-[(3,4-difluorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512909
1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122091780
4-amino-N-[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]butanamide
CID 119331495

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122085287) is 1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid is COc1ccc(NC(=O)N2CCCC(C(=O)O)C2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is NDNMEAVVHTYRDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O6S/c1-26-14-7-6-13(9-15(14)27(24,25)19-12-4-5-12)18-17(23)20-8-2-3-11(10-20)16(21)22/h6-7,9,11-12,19H,2-5,8,10H2,1H3,(H,18,23)(H,21,22).
What are the key properties of 1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 397.45 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(cyclopropylsulfamoyl)-4-methoxyphenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122085287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).