(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide

C22H29N3O — CID 42512757

IUPAC(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(N[C@@H]2CCCN(C(=O)Nc3cccc(C)c3C)C2)cc1C
InChIInChI=1S/C22H29N3O/c1-15-10-11-19(13-17(15)3)23-20-8-6-12-25(14-20)22(26)24-21-9-5-7-16(2)18(21)4/h5,7,9-11,13,20,23H,6,8,12,14H2,1-4H3,(H,24,26)/t20-/m1/s1
InChIKeySIJHEICDVKIZKO-HXUWFJFHSA-N
MW351.49 g/mol
LogP5.03
Rot. Bonds3

About (3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide

(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide (PubChem CID 42512757) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is (3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
PubChem CID42512757
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide
SMILESCc1ccc(N[C@@H]2CCCN(C(=O)Nc3cccc(C)c3C)C2)cc1C
InChIInChI=1S/C22H29N3O/c1-15-10-11-19(13-17(15)3)23-20-8-6-12-25(14-20)22(26)24-21-9-5-7-16(2)18(21)4/h5,7,9-11,13,20,23H,6,8,12,14H2,1-4H3,(H,24,26)/t20-/m1/s1
InChIKeySIJHEICDVKIZKO-HXUWFJFHSA-N
XLogP5.03
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-(3,4-dimethylanilino)piperidine-1-carboxamide
CID 45245331
cyclopentyl-[3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 24792136
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 42458121
1-[(3S)-3-(3,4-dimethylanilino)piperidin-1-yl]-4-methylpentane-1,2-dione
CID 42199493
N-(2,3-dimethylphenyl)-4-(3,4-dimethylphenyl)piperazine-1-carboxamide
CID 113111604
2-[3-(3,4-dimethylanilino)piperidine-1-carbonyl]chromen-4-one
CID 45240420
(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
CID 172646427
3-(3,5-dimethoxyanilino)-N-(2-methoxyphenyl)piperidine-1-carboxamide
CID 71849001
4-[(3R)-3-(3,4-dimethylanilino)piperidine-1-carbonyl]benzaldehyde
CID 42462897
(3,4-dimethoxyphenyl)-[(3R)-3-(3,4-dimethylanilino)piperidin-1-yl]methanone
CID 42509571
1-[3-(3,4-dimethylanilino)piperidin-1-yl]-3-piperidin-1-ylpropan-1-one
CID 45211059
ethyl (3S)-1-[(2,3-dimethylphenyl)carbamoyl]piperidine-3-carboxylate
CID 94172269

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
The IUPAC name of (3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide (CID 42512757) is (3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide.
What is the SMILES notation for (3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
The canonical SMILES for (3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide is Cc1ccc(N[C@@H]2CCCN(C(=O)Nc3cccc(C)c3C)C2)cc1C.
What is the InChIKey of (3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
The InChIKey is SIJHEICDVKIZKO-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H29N3O/c1-15-10-11-19(13-17(15)3)23-20-8-6-12-25(14-20)22(26)24-21-9-5-7-16(2)18(21)4/h5,7,9-11,13,20,23H,6,8,12,14H2,1-4H3,(H,24,26)/t20-/m1/s1.
What are the key properties of (3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide?
(3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 5.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3,4-dimethylanilino)-N-(2,3-dimethylphenyl)piperidine-1-carboxamide is sourced from PubChem (CID 42512757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).