2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone

C15H22N2O — CID 28564943

IUPAC2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
SMILESC[C@@H](NCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-13(14-8-4-2-5-9-14)16-12-15(18)17-10-6-3-7-11-17/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3/t13-/m1/s1
InChIKeyFWDYJKYRMZWLFS-CYBMUJFWSA-N
MW246.35 g/mol
LogP2.35
Rot. Bonds4

About 2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone

2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone (PubChem CID 28564943) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
PubChem CID28564943
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone
SMILESC[C@@H](NCC(=O)N1CCCCC1)c1ccccc1
InChIInChI=1S/C15H22N2O/c1-13(14-8-4-2-5-9-14)16-12-15(18)17-10-6-3-7-11-17/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3/t13-/m1/s1
InChIKeyFWDYJKYRMZWLFS-CYBMUJFWSA-N
XLogP2.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-[1-(4-bromophenyl)ethylamino]-1-piperidin-1-ylethanone
CID 60674178
2-(1-phenylethylamino)-1-(4-phenylpiperazin-1-yl)ethanone
CID 108997260
1-(azepan-1-yl)-2-[[(1S)-1-(3-fluorophenyl)ethyl]amino]ethanone
CID 81364854
2-[[(1R)-1-(3-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81365567
2-(1-phenylpropylamino)-1-piperidin-1-ylethanone
CID 54845364
2-[[(1R)-1-pyridin-3-ylethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81404885
1-(azepan-1-yl)-2-[1-(2-chlorophenyl)ethylamino]ethanone
CID 60674362
3-[1-[(2-oxo-2-piperidin-1-ylethyl)amino]ethyl]benzonitrile
CID 115900500
1-(azepan-1-yl)-2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]ethanone
CID 81380441
1-(azepan-1-yl)-2-(2-phenylpropylamino)ethanone
CID 115573496
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81378766

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone (CID 28564943) is 2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone is C[C@@H](NCC(=O)N1CCCCC1)c1ccccc1.
What is the InChIKey of 2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone?
The InChIKey is FWDYJKYRMZWLFS-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O/c1-13(14-8-4-2-5-9-14)16-12-15(18)17-10-6-3-7-11-17/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3/t13-/m1/s1.
What are the key properties of 2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone?
2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone has a molecular weight of 246.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-phenylethyl]amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 28564943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).