(3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide

C17H25ClN4O2 — CID 95143009

IUPAC(3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide
SMILESCC(C)(CNc1cccc(Cl)c1)NC(=O)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C17H25ClN4O2/c1-17(2,11-20-14-7-3-6-13(18)9-14)21-15(23)12-5-4-8-22(10-12)16(19)24/h3,6-7,9,12,20H,4-5,8,10-11H2,1-2H3,(H2,19,24)(H,21,23)/t12-/m0/s1
InChIKeyOQKITAFIBJQVOC-LBPRGKRZSA-N
MW352.87 g/mol
LogP2.44
Rot. Bonds5

About (3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide

(3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide (PubChem CID 95143009) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is (3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide
PubChem CID95143009
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name(3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide
SMILESCC(C)(CNc1cccc(Cl)c1)NC(=O)[C@H]1CCCN(C(N)=O)C1
InChIInChI=1S/C17H25ClN4O2/c1-17(2,11-20-14-7-3-6-13(18)9-14)21-15(23)12-5-4-8-22(10-12)16(19)24/h3,6-7,9,12,20H,4-5,8,10-11H2,1-2H3,(H2,19,24)(H,21,23)/t12-/m0/s1
InChIKeyOQKITAFIBJQVOC-LBPRGKRZSA-N
XLogP2.44
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-chlorophenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857593
(2S,4S)-4-amino-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]-1-methylpyrrolidine-2-carboxamide
CID 56713673
3-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide
CID 70742198
(3R)-N-(3-chlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96590610
1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 16777736
methyl (3S)-1-[(3-chlorophenyl)carbamoyl]piperidine-3-carboxylate
CID 79039547
2-[(1-carbamoylpiperidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79792508
(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 34591979
1-[2-[2-[(3-chlorophenyl)carbamoyl]anilino]acetyl]piperidine-3-carboxamide
CID 112800020
(3S)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490524
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
(3R)-1-benzyl-N-(3-chlorophenyl)piperidine-3-carboxamide
CID 93490525

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide (CID 95143009) is (3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide is CC(C)(CNc1cccc(Cl)c1)NC(=O)[C@H]1CCCN(C(N)=O)C1.
What is the InChIKey of (3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide?
The InChIKey is OQKITAFIBJQVOC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H25ClN4O2/c1-17(2,11-20-14-7-3-6-13(18)9-14)21-15(23)12-5-4-8-22(10-12)16(19)24/h3,6-7,9,12,20H,4-5,8,10-11H2,1-2H3,(H2,19,24)(H,21,23)/t12-/m0/s1.
What are the key properties of (3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide?
(3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide has a molecular weight of 352.87 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-[1-(3-chloroanilino)-2-methylpropan-2-yl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95143009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).