[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea

C15H21N3O2 — CID 97141328

IUPAC[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
SMILESC[C@@]1(c2ccccc2)CCCN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C15H21N3O2/c1-15(12-6-3-2-4-7-12)8-5-9-18(11-15)13(19)10-17-14(16)20/h2-4,6-7H,5,8-11H2,1H3,(H3,16,17,20)/t15-/m1/s1
InChIKeyYNGKSHRYQXFRAE-OAHLLOKOSA-N
MW275.35 g/mol
LogP1.24
Rot. Bonds3

About [2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea

[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea (PubChem CID 97141328) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
PubChem CID97141328
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea
SMILESC[C@@]1(c2ccccc2)CCCN(C(=O)CNC(N)=O)C1
InChIInChI=1S/C15H21N3O2/c1-15(12-6-3-2-4-7-12)8-5-9-18(11-15)13(19)10-17-14(16)20/h2-4,6-7H,5,8-11H2,1H3,(H3,16,17,20)/t15-/m1/s1
InChIKeyYNGKSHRYQXFRAE-OAHLLOKOSA-N
XLogP1.24
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylmethylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)ethanone
CID 119786969
[4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenyl]methylurea
CID 119129647
7-amino-1-(3-methyl-3-phenylpiperidin-1-yl)heptan-1-one
CID 119786941
4-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120592389
2-methyl-3-(methylamino)-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 119786972
2-amino-3-methoxy-1-(3-methyl-3-phenylpiperidin-1-yl)propan-1-one;hydrochloride
CID 120989835
N-[2-(3,3-diphenylpiperidin-1-yl)-2-oxoethyl]-2-methylpropanamide
CID 72841382
2-amino-1-(3-methyl-3-phenylpiperidin-1-yl)-4-methylsulfonylbutan-1-one
CID 102560456
1-[3-(3-methyl-3-phenylpiperidin-1-yl)-3-oxopropyl]pyrimidine-2,4-dione
CID 72871274
(3R)-N-[[(2R)-1,4-dimethylpiperazin-2-yl]methyl]-3-methyl-3-phenylpiperidine-1-carboxamide
CID 96540537
2-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-1-[(3R)-3-methyl-3-phenylpiperidin-1-yl]ethanone
CID 97148684
[2-[4-(2-methyl-1,3-thiazol-4-yl)-4-phenylpiperidin-1-yl]-2-oxoethyl]urea
CID 164691667

Frequently Asked Questions

What is the IUPAC name of [2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea (CID 97141328) is [2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea is C[C@@]1(c2ccccc2)CCCN(C(=O)CNC(N)=O)C1.
What is the InChIKey of [2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is YNGKSHRYQXFRAE-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-15(12-6-3-2-4-7-12)8-5-9-18(11-15)13(19)10-17-14(16)20/h2-4,6-7H,5,8-11H2,1H3,(H3,16,17,20)/t15-/m1/s1.
What are the key properties of [2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea?
[2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 275.35 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3S)-3-methyl-3-phenylpiperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 97141328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).