1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one

C16H23N3O — CID 138622014

IUPAC1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one
SMILESCC(c1ccccc1)N1CCN([C@H]2CCCNC2)C1=O
InChIInChI=1S/C16H23N3O/c1-13(14-6-3-2-4-7-14)18-10-11-19(16(18)20)15-8-5-9-17-12-15/h2-4,6-7,13,15,17H,5,8-12H2,1H3/t13?,15-/m0/s1
InChIKeyNGTYDPSIPRKWNS-WUJWULDRSA-N
MW273.38 g/mol
LogP2.24
Rot. Bonds3

About 1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one

1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one (PubChem CID 138622014) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one
PubChem CID138622014
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one
SMILESCC(c1ccccc1)N1CCN([C@H]2CCCNC2)C1=O
InChIInChI=1S/C16H23N3O/c1-13(14-6-3-2-4-7-14)18-10-11-19(16(18)20)15-8-5-9-17-12-15/h2-4,6-7,13,15,17H,5,8-12H2,1H3/t13?,15-/m0/s1
InChIKeyNGTYDPSIPRKWNS-WUJWULDRSA-N
XLogP2.24
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-piperidin-3-yl]-3-propan-2-yl-1,3-diazinan-2-one
CID 125041151
1-cyclopropyl-3-piperidin-3-ylimidazolidin-2-one;hydrochloride
CID 118115296
1-methyl-3-piperidin-3-ylimidazolidin-2-one;trihydrochloride
CID 175684354
1-methyl-3-[(3R)-piperidin-3-yl]-1,3-diazinan-2-one;hydrochloride
CID 118115291
1-(3-chlorophenyl)-3-[(3R)-piperidin-3-yl]imidazolidin-2-one
CID 118115135
2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
(3R)-3-amino-1-(1-phenylethyl)azepan-2-one
CID 154443959
1-benzyl-3-pyrrolidin-3-ylimidazolidin-2-one
CID 82384888
3-methyl-1-[(1R)-1-phenylethyl]pyrrolidin-2-one
CID 142649009
(3R)-3-methyl-1-[(1R)-1-phenylethyl]azepan-2-one
CID 14813890
1-methyl-3-[(3S)-pyrrolidin-3-yl]imidazolidin-2-one
CID 96631898
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one?
The IUPAC name of 1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one (CID 138622014) is 1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one.
What is the SMILES notation for 1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one?
The canonical SMILES for 1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one is CC(c1ccccc1)N1CCN([C@H]2CCCNC2)C1=O.
What is the InChIKey of 1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one?
The InChIKey is NGTYDPSIPRKWNS-WUJWULDRSA-N. The full InChI is InChI=1S/C16H23N3O/c1-13(14-6-3-2-4-7-14)18-10-11-19(16(18)20)15-8-5-9-17-12-15/h2-4,6-7,13,15,17H,5,8-12H2,1H3/t13?,15-/m0/s1.
What are the key properties of 1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one?
1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethyl)-3-[(3S)-piperidin-3-yl]imidazolidin-2-one is sourced from PubChem (CID 138622014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).