(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one

C16H23NO — CID 11402324

IUPAC(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one
SMILESCCC[C@H]1CCCC(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C16H23NO/c1-3-8-15-11-7-12-16(18)17(15)13(2)14-9-5-4-6-10-14/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyAOUQVZFFNNDCCK-HIFRSBDPSA-N
MW245.37 g/mol
LogP3.93
Rot. Bonds4

About (6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one

(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one (PubChem CID 11402324) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one.

Molecular Properties

Compound Name(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one
PubChem CID11402324
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one
SMILESCCC[C@H]1CCCC(=O)N1[C@H](C)c1ccccc1
InChIInChI=1S/C16H23NO/c1-3-8-15-11-7-12-16(18)17(15)13(2)14-9-5-4-6-10-14/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3/t13-,15+/m1/s1
InChIKeyAOUQVZFFNNDCCK-HIFRSBDPSA-N
XLogP3.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(6S)-1-[(1S)-1-phenylethyl]-6-(3-phenylmethoxypropyl)piperidin-2-one
CID 16658207
(2S)-1-[(1R)-1-phenylethyl]-2-propyl-3,4-dihydro-2H-quinoline
CID 102479708
1-[(1R)-1-phenylethyl]-2-propylpiperidine
CID 118395761
methyl 2-[5-oxo-1-[(1R)-1-phenylethyl]pyrrolidin-2-yl]acetate
CID 70631589
(5S)-5-butyl-1-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidin-2-one
CID 11276994
(3R)-2-butyl-3-methyl-5-oxo-1-[(1R)-1-phenylethyl]pyrrolidine-3-carboxylic acid
CID 68861605
(3aS,7aS)-1-(1-phenylethyl)-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 132550857
6-ethyl-1-(1-phenylethyl)-3-propylpiperazine-2,5-dione
CID 64957677
(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
(4aR,8aS)-1-[(1R)-1-phenylethyl]-4,4a,5,7,8,8a-hexahydro-3H-quinoline-2,6-dione
CID 7188279
5-[2-(ethylamino)ethyl]-1-[(1R)-1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45188866
ethyl (4aS)-2-oxo-1-[(1S)-1-phenylethyl]-3,4,5,6,7,7a-hexahydrocyclopenta[b]pyridine-4a-carboxylate
CID 178162192

Frequently Asked Questions

What is the IUPAC name of (6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one?
The IUPAC name of (6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one (CID 11402324) is (6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one.
What is the SMILES notation for (6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one?
The canonical SMILES for (6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one is CCC[C@H]1CCCC(=O)N1[C@H](C)c1ccccc1.
What is the InChIKey of (6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one?
The InChIKey is AOUQVZFFNNDCCK-HIFRSBDPSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-8-15-11-7-12-16(18)17(15)13(2)14-9-5-4-6-10-14/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3/t13-,15+/m1/s1.
What are the key properties of (6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one?
(6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one has a molecular weight of 245.37 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-1-[(1R)-1-phenylethyl]-6-propylpiperidin-2-one is sourced from PubChem (CID 11402324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).