2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide

C15H23N3O — CID 96553013

IUPAC2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
SMILESNCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c16-9-15(19)17-10-14-7-4-8-18(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2,(H,17,19)/t14-/m0/s1
InChIKeyMVJJMNYHHRPZDE-AWEZNQCLSA-N
MW261.37 g/mol
LogP0.97
Rot. Bonds5

About 2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide

2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide (PubChem CID 96553013) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
PubChem CID96553013
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide
SMILESNCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C15H23N3O/c16-9-15(19)17-10-14-7-4-8-18(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2,(H,17,19)/t14-/m0/s1
InChIKeyMVJJMNYHHRPZDE-AWEZNQCLSA-N
XLogP0.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[(3R)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553008
2-amino-N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]acetamide
CID 96553009
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]acetamide
CID 66565184
N-[(1-benzylpiperidin-3-yl)methyl]acetamide
CID 10444612
1-[(1-benzylpiperidin-3-yl)methyl]-3-phenylurea
CID 47081886
(2S)-N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-hydroxy-2-phenylacetamide
CID 98848393
N-[(1-benzylpiperidin-3-yl)methyl]-3-methylpiperidine-1-carboxamide
CID 60597786
benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552603
N-[(1-benzylpyrrolidin-3-yl)methyl]propanamide
CID 56990100
(1-benzylpyrrolidin-3-yl)methylurea
CID 119030980
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-4-(2-methoxyethoxy)butanamide
CID 95186738
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide?
The IUPAC name of 2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide (CID 96553013) is 2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide.
What is the SMILES notation for 2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide?
The canonical SMILES for 2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide is NCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide?
The InChIKey is MVJJMNYHHRPZDE-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H23N3O/c16-9-15(19)17-10-14-7-4-8-18(12-14)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2,(H,17,19)/t14-/m0/s1.
What are the key properties of 2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide?
2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide has a molecular weight of 261.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[(3S)-1-benzylpiperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 96553013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).