(2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide

C17H27N3O — CID 99639603

IUPAC(2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N[C@H]1C[C@@H](C)CN(Cc2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-13-9-16(19-14(2)17(21)18-3)12-20(10-13)11-15-7-5-4-6-8-15/h4-8,13-14,16,19H,9-12H2,1-3H3,(H,18,21)/t13-,14-,16+/m1/s1
InChIKeyUGSKPQVQUBTFMY-FMKPAKJESA-N
MW289.42 g/mol
LogP1.62
Rot. Bonds5

About (2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide

(2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide (PubChem CID 99639603) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name(2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide
PubChem CID99639603
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide
SMILESCNC(=O)[C@@H](C)N[C@H]1C[C@@H](C)CN(Cc2ccccc2)C1
InChIInChI=1S/C17H27N3O/c1-13-9-16(19-14(2)17(21)18-3)12-20(10-13)11-15-7-5-4-6-8-15/h4-8,13-14,16,19H,9-12H2,1-3H3,(H,18,21)/t13-,14-,16+/m1/s1
InChIKeyUGSKPQVQUBTFMY-FMKPAKJESA-N
XLogP1.62
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylpiperidin-3-yl)amino]-N-methylpropanamide
CID 61464041
N,1-dibenzyl-5-methylpiperidin-3-amine
CID 83993568
1-benzyl-N-cyclohexyl-5-methylpiperidin-3-amine
CID 83999101
(3R,5S)-N-(1-benzylpiperidin-4-yl)-3,5-dimethylpiperidine-1-carboxamide
CID 94493957
[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl] carbamate
CID 90281726
1-benzyl-N-(cyclobutylmethyl)-5-methylpiperidin-3-amine
CID 83997025
2-[(3-methylcyclopentyl)amino]-N-phenylpropanamide
CID 115889728
N-benzyl-1-[(4-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83993582
N-[4-[[(3R,5S)-3,5-dimethylpiperidin-1-yl]methyl]phenyl]acetamide
CID 26458271
(2S,4R)-1-benzyl-N-methyl-4-(propan-2-ylamino)pyrrolidine-2-carboxamide
CID 45245451
N-methyl-2-[(1-phenylpiperidin-4-yl)amino]propanamide
CID 103778222
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide?
The IUPAC name of (2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide (CID 99639603) is (2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide.
What is the SMILES notation for (2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide?
The canonical SMILES for (2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide is CNC(=O)[C@@H](C)N[C@H]1C[C@@H](C)CN(Cc2ccccc2)C1.
What is the InChIKey of (2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide?
The InChIKey is UGSKPQVQUBTFMY-FMKPAKJESA-N. The full InChI is InChI=1S/C17H27N3O/c1-13-9-16(19-14(2)17(21)18-3)12-20(10-13)11-15-7-5-4-6-8-15/h4-8,13-14,16,19H,9-12H2,1-3H3,(H,18,21)/t13-,14-,16+/m1/s1.
What are the key properties of (2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide?
(2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide has a molecular weight of 289.42 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(3S,5R)-1-benzyl-5-methylpiperidin-3-yl]amino]-N-methylpropanamide is sourced from PubChem (CID 99639603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).