4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid

C16H20Cl2N2O3 — CID 119955394

IUPAC4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O3/c17-12-7-6-11(10-13(12)18)19-16(23)14-4-1-2-8-20(14)9-3-5-15(21)22/h6-7,10,14H,1-5,8-9H2,(H,19,23)(H,21,22)
InChIKeyVAOLFDBPMVOYKF-UHFFFAOYSA-N
MW359.25 g/mol
LogP3.65
Rot. Bonds6

About 4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid

4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid (PubChem CID 119955394) has the molecular formula C16H20Cl2N2O3 and a molecular weight of 359.25 g/mol. Its IUPAC name is 4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
PubChem CID119955394
Molecular FormulaC16H20Cl2N2O3
Molecular Weight359.25 g/mol
Exact Mass358.09
IUPAC Name4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid
SMILESO=C(O)CCCN1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C16H20Cl2N2O3/c17-12-7-6-11(10-13(12)18)19-16(23)14-4-1-2-8-20(14)9-3-5-15(21)22/h6-7,10,14H,1-5,8-9H2,(H,19,23)(H,21,22)
InChIKeyVAOLFDBPMVOYKF-UHFFFAOYSA-N
XLogP3.65
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.25
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]acetic acid
CID 119955395
1-[2-(carbamoylamino)-2-oxoethyl]-N-(3,4-dichlorophenyl)piperidine-2-carboxamide
CID 43074677
N-(3,4-dichlorophenyl)-1-[2-[4-(methylcarbamoyl)anilino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063787
N-(3,4-dichlorophenyl)-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-2-carboxamide
CID 43074702
(2R)-N-(3,4-dichlorophenyl)-1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 39013591
N-(3,4-dichlorophenyl)-1-[2-(2,5-dimethoxyanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 43063745
N-(3,4-dichlorophenyl)-1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-2-carboxamide
CID 43063792
N-(3,4-dichlorophenyl)-1-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperidine-2-carboxamide
CID 43063775
(2R)-1-[(3,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 79034954
1-(3-chloropropyl)-N-(3,5-dimethylphenyl)piperidine-2-carboxamide;hydrochloride
CID 174852420
3-[3-[(1-benzylpiperidine-2-carbonyl)amino]phenyl]propanoic acid
CID 120613936
N-(3,4-dichlorophenyl)-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 2697918

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid?
The IUPAC name of 4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid (CID 119955394) is 4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid.
What is the SMILES notation for 4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid?
The canonical SMILES for 4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid is O=C(O)CCCN1CCCCC1C(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid?
The InChIKey is VAOLFDBPMVOYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O3/c17-12-7-6-11(10-13(12)18)19-16(23)14-4-1-2-8-20(14)9-3-5-15(21)22/h6-7,10,14H,1-5,8-9H2,(H,19,23)(H,21,22).
What are the key properties of 4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid?
4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid has a molecular weight of 359.25 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3,4-dichlorophenyl)carbamoyl]piperidin-1-yl]butanoic acid is sourced from PubChem (CID 119955394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).