N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide

C15H22N2O — CID 78953201

IUPACN-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
SMILESC[C@@H](NC(=O)CC1CCCNC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(14-7-3-2-4-8-14)17-15(18)10-13-6-5-9-16-11-13/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3,(H,17,18)/t12-,13?/m1/s1
InChIKeyCASQEVMTRSDYFV-PZORYLMUSA-N
MW246.35 g/mol
LogP2.25
Rot. Bonds4

About N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide

N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide (PubChem CID 78953201) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
PubChem CID78953201
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
SMILESC[C@@H](NC(=O)CC1CCCNC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-12(14-7-3-2-4-8-14)17-15(18)10-13-6-5-9-16-11-13/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3,(H,17,18)/t12-,13?/m1/s1
InChIKeyCASQEVMTRSDYFV-PZORYLMUSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1S)-1-(4-methylphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 81356926
N-[1-(3-hydroxyphenyl)ethyl]-2-piperidin-3-ylacetamide
CID 62676485
N-(1-phenylpropyl)-2-piperidin-3-ylacetamide
CID 62689711
N-(1-phenylethyl)piperidine-3-carboxamide
CID 18071982
(2S)-2-phenyl-2-[(2-pyrrolidin-3-ylacetyl)amino]acetic acid
CID 104898505
N-[(1S)-1-(3-bromophenyl)ethyl]-3-piperidin-3-ylpropanamide
CID 81375901
2-[azepan-4-yl(methyl)amino]-N-(1-phenylethyl)acetamide
CID 104979577
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-piperidin-3-ylacetamide
CID 62675416
2-(azetidin-3-yl)-N-(1-pyridin-4-ylethyl)acetamide
CID 64616162
2-piperidin-4-yl-N-[1-(4-propan-2-ylphenyl)ethyl]acetamide
CID 61030445
2-(azetidin-3-yl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 81409827
2-(1-cyclopropylpiperidin-4-yl)-N-(1-phenylethyl)acetamide
CID 110754745

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide?
The IUPAC name of N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide (CID 78953201) is N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide?
The canonical SMILES for N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide is C[C@@H](NC(=O)CC1CCCNC1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide?
The InChIKey is CASQEVMTRSDYFV-PZORYLMUSA-N. The full InChI is InChI=1S/C15H22N2O/c1-12(14-7-3-2-4-8-14)17-15(18)10-13-6-5-9-16-11-13/h2-4,7-8,12-13,16H,5-6,9-11H2,1H3,(H,17,18)/t12-,13?/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide?
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide has a molecular weight of 246.35 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide is sourced from PubChem (CID 78953201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).