(3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide

C19H28N4O3 — CID 51956289

IUPAC(3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1
InChIInChI=1S/C19H28N4O3/c1-13(2)20-17(24)14-7-5-9-16(11-14)21-18(25)15-8-6-10-23(12-15)19(26)22(3)4/h5,7,9,11,13,15H,6,8,10,12H2,1-4H3,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeyDOYLSQTVBVLRBH-HNNXBMFYSA-N
MW360.46 g/mol
LogP2.16
Rot. Bonds4

About (3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide

(3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide (PubChem CID 51956289) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is (3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
PubChem CID51956289
Molecular FormulaC19H28N4O3
Molecular Weight360.46 g/mol
Exact Mass360.22
IUPAC Name(3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1
InChIInChI=1S/C19H28N4O3/c1-13(2)20-17(24)14-7-5-9-16(11-14)21-18(25)15-8-6-10-23(12-15)19(26)22(3)4/h5,7,9,11,13,15H,6,8,10,12H2,1-4H3,(H,20,24)(H,21,25)/t15-/m0/s1
InChIKeyDOYLSQTVBVLRBH-HNNXBMFYSA-N
XLogP2.16
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-[3-(diethylcarbamoyl)phenyl]-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 102556035
(3S)-1-N,1-N-dimethyl-3-N-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161105
3-(cyclopropanecarbonylamino)-N-propan-2-ylbenzamide
CID 17197396
1-(3-benzamidobenzoyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 46387250
(3R)-3-N-(3,4-dichlorophenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 94161112
(3R)-1-N,1-N-dimethyl-3-N-(4-propan-2-ylphenyl)piperidine-1,3-dicarboxamide
CID 94161545
(3S)-1-N,1-N-dimethyl-3-N-(4-methylphenyl)piperidine-1,3-dicarboxamide
CID 94161128
3-N-(3,5-dimethylphenyl)-1-N,1-N-dimethylpiperidine-1,3-dicarboxamide
CID 56922913
3-(cyclohexanecarbonylamino)-N-(1-hydroxypropan-2-yl)benzamide
CID 78866259
N-[(2S)-butan-2-yl]-3-(cyclohexanecarbonylamino)benzamide
CID 42427444
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 55779526

Frequently Asked Questions

What is the IUPAC name of (3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide (CID 51956289) is (3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide is CC(C)NC(=O)c1cccc(NC(=O)[C@H]2CCCN(C(=O)N(C)C)C2)c1.
What is the InChIKey of (3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide?
The InChIKey is DOYLSQTVBVLRBH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-13(2)20-17(24)14-7-5-9-16(11-14)21-18(25)15-8-6-10-23(12-15)19(26)22(3)4/h5,7,9,11,13,15H,6,8,10,12H2,1-4H3,(H,20,24)(H,21,25)/t15-/m0/s1.
What are the key properties of (3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide?
(3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-N,1-N-dimethyl-3-N-[3-(propan-2-ylcarbamoyl)phenyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 51956289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).