(3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide

C19H29N3O2 — CID 95088017

IUPAC(3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCNC(=O)N1CCC[C@@](C)(C(=O)NCc2ccc(C)cc2)C1
InChIInChI=1S/C19H29N3O2/c1-4-11-20-18(24)22-12-5-10-19(3,14-22)17(23)21-13-16-8-6-15(2)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,20,24)(H,21,23)/t19-/m1/s1
InChIKeyVTTCLQFGPRHOBF-LJQANCHMSA-N
MW331.46 g/mol
LogP2.83
Rot. Bonds5

About (3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide

(3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide (PubChem CID 95088017) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide
PubChem CID95088017
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide
SMILESCCCNC(=O)N1CCC[C@@](C)(C(=O)NCc2ccc(C)cc2)C1
InChIInChI=1S/C19H29N3O2/c1-4-11-20-18(24)22-12-5-10-19(3,14-22)17(23)21-13-16-8-6-15(2)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,20,24)(H,21,23)/t19-/m1/s1
InChIKeyVTTCLQFGPRHOBF-LJQANCHMSA-N
XLogP2.83
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-(3-ethoxypropyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53011210
(3S)-1-N-[(4-fluorophenyl)methyl]-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95088022
1-butanoyl-3-methyl-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117140
1-N,3-N-dibenzyl-3-methylpiperidine-1,3-dicarboxamide
CID 53117404
1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117346
(3R)-1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087961
3-methyl-1-(3-methylbutanoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 53117136
N-benzyl-3-methyl-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 53117158
(3R)-N-[(4-fluorophenyl)methyl]-3-methyl-1-[2-(4-methylphenyl)acetyl]piperidine-3-carboxamide
CID 95087491
(3R)-3-methyl-1-(2-methylbenzoyl)-N-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 95087537
(3S)-1-N-(3-chloro-2-methylphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087988
(3R)-1-N-(2-methoxyphenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087951

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide (CID 95088017) is (3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide is CCCNC(=O)N1CCC[C@@](C)(C(=O)NCc2ccc(C)cc2)C1.
What is the InChIKey of (3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide?
The InChIKey is VTTCLQFGPRHOBF-LJQANCHMSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-4-11-20-18(24)22-12-5-10-19(3,14-22)17(23)21-13-16-8-6-15(2)7-9-16/h6-9H,4-5,10-14H2,1-3H3,(H,20,24)(H,21,23)/t19-/m1/s1.
What are the key properties of (3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide?
(3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide has a molecular weight of 331.46 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-3-N-[(4-methylphenyl)methyl]-1-N-propylpiperidine-1,3-dicarboxamide is sourced from PubChem (CID 95088017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).