2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide

C15H23N3O — CID 124692107

IUPAC2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
SMILESC[C@@H]1C[C@@H](NC(=O)CN)CCN1Cc1ccccc1
InChIInChI=1S/C15H23N3O/c1-12-9-14(17-15(19)10-16)7-8-18(12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19)/t12-,14+/m1/s1
InChIKeyNYYPJJIRMCVJRT-OCCSQVGLSA-N
MW261.37 g/mol
LogP1.11
Rot. Bonds4

About 2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide

2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide (PubChem CID 124692107) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
PubChem CID124692107
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide
SMILESC[C@@H]1C[C@@H](NC(=O)CN)CCN1Cc1ccccc1
InChIInChI=1S/C15H23N3O/c1-12-9-14(17-15(19)10-16)7-8-18(12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19)/t12-,14+/m1/s1
InChIKeyNYYPJJIRMCVJRT-OCCSQVGLSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyanoacetamide
CID 165351593
N-(1-benzyl-2-methylpiperidin-4-yl)-3-bromoprop-2-ynamide
CID 131167223
N-[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-2-(4-fluorophenoxy)acetamide
CID 96559160
3-(2-aminophenyl)-N-(1-benzyl-2-methylpiperidin-4-yl)propanamide;dihydrochloride
CID 120612982
N-(1-benzyl-2-methylpiperidin-4-yl)-2-cyclopent-2-en-1-ylacetamide
CID 166228361
N-(1-benzyl-2-methylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 71860677
1-amino-3-(1-benzyl-2-methylpiperidin-4-yl)thiourea
CID 130834689
3-amino-N-[(3R,5R)-1-benzyl-5-methylpyrrolidin-3-yl]propanamide
CID 124652969
N-(1-benzyl-2-methylpiperidin-4-yl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 86813309
2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
1-(1-benzyl-2-methylpiperidin-4-yl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111861088
N,1-dibenzyl-2-methylpiperidin-4-amine
CID 119029011

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide?
The IUPAC name of 2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide (CID 124692107) is 2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide?
The canonical SMILES for 2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide is C[C@@H]1C[C@@H](NC(=O)CN)CCN1Cc1ccccc1.
What is the InChIKey of 2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide?
The InChIKey is NYYPJJIRMCVJRT-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H23N3O/c1-12-9-14(17-15(19)10-16)7-8-18(12)11-13-5-3-2-4-6-13/h2-6,12,14H,7-11,16H2,1H3,(H,17,19)/t12-,14+/m1/s1.
What are the key properties of 2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide?
2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2R,4S)-1-benzyl-2-methylpiperidin-4-yl]acetamide is sourced from PubChem (CID 124692107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).