N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide

C16H23N3O2 — CID 124681917

IUPACN-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12(20)18-10-13-6-5-9-19(11-13)16(21)15(17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-11,17H2,1H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyCHHMRIONZWBSKV-DZGCQCFKSA-N
MW289.38 g/mol
LogP1.06
Rot. Bonds4

About N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide

N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide (PubChem CID 124681917) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
PubChem CID124681917
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide
SMILESCC(=O)NC[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1
InChIInChI=1S/C16H23N3O2/c1-12(20)18-10-13-6-5-9-19(11-13)16(21)15(17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-11,17H2,1H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyCHHMRIONZWBSKV-DZGCQCFKSA-N
XLogP1.06
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
N-[[1-(2-amino-2-phenylacetyl)piperidin-3-yl]methyl]methanesulfonamide;hydrochloride
CID 119288841
(2R)-2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796537
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 103796550
2-amino-1-[3-(2-methylpropyl)piperidin-1-yl]-2-phenylethanone
CID 119337376
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564
N-[[(3S)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554565
3-[1-(2-amino-2-phenylacetyl)piperidin-3-yl]propanamide
CID 119308870
N-[[1-(3-amino-2-methyl-3-phenylpropanoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 119761567
(2S)-2-amino-N-[(1-methylpiperidin-3-yl)methyl]-2-phenylacetamide
CID 104897742
3-amino-2-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]-3-phenylpropan-1-one
CID 122080186
1-[3-(methylaminomethyl)piperidin-1-yl]-2,2-diphenylethanone;hydrochloride
CID 119397483

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide?
The IUPAC name of N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide (CID 124681917) is N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide.
What is the SMILES notation for N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide?
The canonical SMILES for N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide is CC(=O)NC[C@@H]1CCCN(C(=O)[C@H](N)c2ccccc2)C1.
What is the InChIKey of N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide?
The InChIKey is CHHMRIONZWBSKV-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12(20)18-10-13-6-5-9-19(11-13)16(21)15(17)14-7-3-2-4-8-14/h2-4,7-8,13,15H,5-6,9-11,17H2,1H3,(H,18,20)/t13-,15+/m0/s1.
What are the key properties of N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide?
N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide has a molecular weight of 289.38 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-1-[(2R)-2-amino-2-phenylacetyl]piperidin-3-yl]methyl]acetamide is sourced from PubChem (CID 124681917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).