(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

C16H21Cl2N3O2 — CID 51941064

IUPAC(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H21Cl2N3O2/c1-10(2)19-16(23)21-7-3-4-11(9-21)15(22)20-12-5-6-13(17)14(18)8-12/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,19,23)(H,20,22)/t11-/m0/s1
InChIKeyQZVVVVFPUANOTI-NSHDSACASA-N
MW358.27 g/mol
LogP3.76
Rot. Bonds3

About (3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide

(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (PubChem CID 51941064) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is (3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
PubChem CID51941064
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC Name(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H21Cl2N3O2/c1-10(2)19-16(23)21-7-3-4-11(9-21)15(22)20-12-5-6-13(17)14(18)8-12/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,19,23)(H,20,22)/t11-/m0/s1
InChIKeyQZVVVVFPUANOTI-NSHDSACASA-N
XLogP3.76
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
(3S)-1-N-propan-2-yl-3-N-pyridin-4-ylpiperidine-1,3-dicarboxamide
CID 51727369
(3S)-N-(3,4-dichlorophenyl)-1-methylpiperidine-3-carboxamide
CID 96596420
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
(3S)-1-acetyl-N-(3-chloro-4-methylphenyl)piperidine-3-carboxamide
CID 9068498
(3S)-3-N-(4-chloro-3-fluorophenyl)-1-N-methylpiperidine-1,3-dicarboxamide
CID 166027295
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
N-(3,4-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42946658
(3R)-N-(3-chloro-4-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-3-carboxamide
CID 94857626
(3R)-N-(4-chloro-3-fluorophenyl)-1-(cyclopropanecarbonyl)piperidine-3-carboxamide
CID 94207901
(3S)-3-N-(3-chloro-4-methoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 26586333
(3R)-N-(3,4-dichlorophenyl)-3-hydroxypiperidine-1-carboxamide
CID 40973267

Frequently Asked Questions

What is the IUPAC name of (3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide (CID 51941064) is (3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is CC(C)NC(=O)N1CCC[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
The InChIKey is QZVVVVFPUANOTI-NSHDSACASA-N. The full InChI is InChI=1S/C16H21Cl2N3O2/c1-10(2)19-16(23)21-7-3-4-11(9-21)15(22)20-12-5-6-13(17)14(18)8-12/h5-6,8,10-11H,3-4,7,9H2,1-2H3,(H,19,23)(H,20,22)/t11-/m0/s1.
What are the key properties of (3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide?
(3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide has a molecular weight of 358.27 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-N-(3,4-dichlorophenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 51941064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).