1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide

C21H23ClN4O3 — CID 112800020

IUPAC1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CNc2ccccc2C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C21H23ClN4O3/c22-15-6-3-7-16(11-15)25-21(29)17-8-1-2-9-18(17)24-12-19(27)26-10-4-5-14(13-26)20(23)28/h1-3,6-9,11,14,24H,4-5,10,12-13H2,(H2,23,28)(H,25,29)
InChIKeyAYTLKAKXFQNDPN-UHFFFAOYSA-N
MW414.89 g/mol
LogP2.73
Rot. Bonds6

About 1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide

1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide (PubChem CID 112800020) has the molecular formula C21H23ClN4O3 and a molecular weight of 414.89 g/mol. Its IUPAC name is 1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide
PubChem CID112800020
Molecular FormulaC21H23ClN4O3
Molecular Weight414.89 g/mol
Exact Mass414.15
IUPAC Name1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(C(=O)CNc2ccccc2C(=O)Nc2cccc(Cl)c2)C1
InChIInChI=1S/C21H23ClN4O3/c22-15-6-3-7-16(11-15)25-21(29)17-8-1-2-9-18(17)24-12-19(27)26-10-4-5-14(13-26)20(23)28/h1-3,6-9,11,14,24H,4-5,10,12-13H2,(H2,23,28)(H,25,29)
InChIKeyAYTLKAKXFQNDPN-UHFFFAOYSA-N
XLogP2.73
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.89
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-chloro-4-methylanilino)acetyl]piperidine-3-carboxamide
CID 78821494
N-(3-chlorophenyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzamide
CID 26086407
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 51260492
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
1-[2-(2,5-dimethylanilino)acetyl]piperidine-3-carboxamide
CID 78821595
(3S)-1-N-(2-chlorophenyl)piperidine-1,3-dicarboxamide
CID 7366630
3-benzoyl-N-(3-chlorophenyl)piperidine-1-carboxamide
CID 110394499
(3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide
CID 95143009
(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
1-[2-[4-fluoro-3-(trifluoromethyl)anilino]acetyl]piperidine-3-carboxamide
CID 71858061
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide (CID 112800020) is 1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide is NC(=O)C1CCCN(C(=O)CNc2ccccc2C(=O)Nc2cccc(Cl)c2)C1.
What is the InChIKey of 1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide?
The InChIKey is AYTLKAKXFQNDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O3/c22-15-6-3-7-16(11-15)25-21(29)17-8-1-2-9-18(17)24-12-19(27)26-10-4-5-14(13-26)20(23)28/h1-3,6-9,11,14,24H,4-5,10,12-13H2,(H2,23,28)(H,25,29).
What are the key properties of 1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide?
1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide has a molecular weight of 414.89 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 112800020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).