(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide

C20H33N3O — CID 95630574

IUPAC(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)N(C)C[C@@H]1CCCN(C)C1
InChIInChI=1S/C20H33N3O/c1-15(2)18-10-6-7-11-19(18)21-20(24)16(3)23(5)14-17-9-8-12-22(4)13-17/h6-7,10-11,15-17H,8-9,12-14H2,1-5H3,(H,21,24)/t16-,17-/m1/s1
InChIKeyFCQHFMSZZBIJBQ-IAGOWNOFSA-N
MW331.50 g/mol
LogP3.41
Rot. Bonds6

About (2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide

(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide (PubChem CID 95630574) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is (2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
PubChem CID95630574
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide
SMILESCC(C)c1ccccc1NC(=O)[C@@H](C)N(C)C[C@@H]1CCCN(C)C1
InChIInChI=1S/C20H33N3O/c1-15(2)18-10-6-7-11-19(18)21-20(24)16(3)23(5)14-17-9-8-12-22(4)13-17/h6-7,10-11,15-17H,8-9,12-14H2,1-5H3,(H,21,24)/t16-,17-/m1/s1
InChIKeyFCQHFMSZZBIJBQ-IAGOWNOFSA-N
XLogP3.41
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(5-chloro-2-methylphenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
CID 95349122
N-(2-cyanophenyl)-2-[cyclobutylmethyl(methyl)amino]propanamide
CID 62860786
(2S)-N-(3-chloro-4-cyanophenyl)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]propanamide
CID 95344481
3-(hydroxymethyl)-N-(2-propan-2-ylphenyl)piperidine-1-carboxamide
CID 84529064
N-[2-(aminomethyl)phenyl]-2-[cyclopropylmethyl(methyl)amino]propanamide
CID 54884442
N-(2-aminophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]propanamide
CID 62546374
2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-N-(2-propan-2-ylphenyl)propanamide
CID 86909917
1-[2-[(1-methylpiperidin-3-yl)methylamino]phenyl]ethanol
CID 62658137
2-[methyl(3-methylsulfonylpropyl)amino]-N-(2-propan-2-ylphenyl)propanamide
CID 71908103
N-[(1-methylpiperidin-3-yl)methyl]-2-(propan-2-ylamino)benzamide
CID 63108415
2-(3-acetamidopiperidin-1-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 87014527
(3S)-1-(dimethylsulfamoyl)-N-(2-propan-2-ylphenyl)piperidine-3-carboxamide
CID 92681982

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
The IUPAC name of (2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide (CID 95630574) is (2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide.
What is the SMILES notation for (2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
The canonical SMILES for (2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide is CC(C)c1ccccc1NC(=O)[C@@H](C)N(C)C[C@@H]1CCCN(C)C1.
What is the InChIKey of (2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
The InChIKey is FCQHFMSZZBIJBQ-IAGOWNOFSA-N. The full InChI is InChI=1S/C20H33N3O/c1-15(2)18-10-6-7-11-19(18)21-20(24)16(3)23(5)14-17-9-8-12-22(4)13-17/h6-7,10-11,15-17H,8-9,12-14H2,1-5H3,(H,21,24)/t16-,17-/m1/s1.
What are the key properties of (2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide?
(2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide has a molecular weight of 331.50 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[methyl-[[(3R)-1-methylpiperidin-3-yl]methyl]amino]-N-(2-propan-2-ylphenyl)propanamide is sourced from PubChem (CID 95630574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).