(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide

C18H29N3O — CID 66563977

IUPAC(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O/c1-14(2)17(19)18(22)20(3)16-10-7-11-21(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13,19H2,1-3H3/t16-,17+/m1/s1
InChIKeyNMPUBZIIOZLDBX-SJORKVTESA-N
MW303.45 g/mol
LogP2.09
Rot. Bonds5

About (2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide

(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide (PubChem CID 66563977) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
PubChem CID66563977
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide
SMILESCC(C)[C@H](N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C18H29N3O/c1-14(2)17(19)18(22)20(3)16-10-7-11-21(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13,19H2,1-3H3/t16-,17+/m1/s1
InChIKeyNMPUBZIIOZLDBX-SJORKVTESA-N
XLogP2.09
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(3S)-1-benzylpyrrolidin-3-yl]-3-methyl-N-propan-2-ylbutanamide
CID 121226093
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119878304
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)-N-methyl-3-phenylpropanamide;dihydrochloride
CID 119878253
(2S)-2-amino-N-[(1-benzylpiperidin-4-yl)methyl]-N-cyclopropyl-3-methylbutanamide
CID 66565350
N-(1-benzylpiperidin-3-yl)-N-methyl-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119857579
4-amino-N-(1-benzylpiperidin-4-yl)-N-methylpentanamide
CID 120565396
N-(1-benzylpiperidin-3-yl)-N-methyl-4-(methylamino)butanamide
CID 119857551
N-(1-benzylpiperidin-3-yl)-3-hydroxy-N-methylpyridine-2-carboxamide
CID 75510961
N-(1-benzylpiperidin-3-yl)-N-methyl-1,1-dioxothiolane-3-carboxamide
CID 127393578
2-amino-N-[(3S)-1-benzylpiperidin-3-yl]-N-ethylacetamide
CID 66565211
benzyl 3-[2-aminopropanoyl(methyl)amino]piperidine-1-carboxylate
CID 77143740
N-(1-benzylpiperidin-3-yl)-N-methylpiperidine-3-carboxamide;dihydrochloride
CID 119857542

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide (CID 66563977) is (2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide is CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of (2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide?
The InChIKey is NMPUBZIIOZLDBX-SJORKVTESA-N. The full InChI is InChI=1S/C18H29N3O/c1-14(2)17(19)18(22)20(3)16-10-7-11-21(13-16)12-15-8-5-4-6-9-15/h4-6,8-9,14,16-17H,7,10-13,19H2,1-3H3/t16-,17+/m1/s1.
What are the key properties of (2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide?
(2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide has a molecular weight of 303.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3R)-1-benzylpiperidin-3-yl]-N,3-dimethylbutanamide is sourced from PubChem (CID 66563977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).