[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea

C15H21N3O2 — CID 99971911

IUPAC[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCc1cccc([C@H]2CCCN(C(=O)CNC(N)=O)C2)c1
InChIInChI=1S/C15H21N3O2/c1-11-4-2-5-12(8-11)13-6-3-7-18(10-13)14(19)9-17-15(16)20/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H3,16,17,20)/t13-/m0/s1
InChIKeyBMDGWJGQWNAHAI-ZDUSSCGKSA-N
MW275.35 g/mol
LogP1.37
Rot. Bonds3

About [2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea

[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea (PubChem CID 99971911) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is [2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea.

Molecular Properties

Compound Name[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
PubChem CID99971911
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea
SMILESCc1cccc([C@H]2CCCN(C(=O)CNC(N)=O)C2)c1
InChIInChI=1S/C15H21N3O2/c1-11-4-2-5-12(8-11)13-6-3-7-18(10-13)14(19)9-17-15(16)20/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H3,16,17,20)/t13-/m0/s1
InChIKeyBMDGWJGQWNAHAI-ZDUSSCGKSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(3S)-3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 95867203
1-[3-(3-methylphenyl)piperidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 70772514
1-bicyclo[1.1.0]butanyl-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 176578246
cyclopropyl-[4-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]piperidin-1-yl]methanone
CID 97138893
3-(3-methylphenyl)pyrrolidine-1-carbothioamide
CID 134367760
3-(3-methylphenyl)-N-(2-propan-2-ylpyrazol-3-yl)piperidine-1-carboxamide
CID 118790711
[3-(3-methylphenyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 70706897
N-[3-[3-(methylamino)-3-oxopropyl]phenyl]-3-(3-methylphenyl)piperidine-1-carboxamide
CID 118786871
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-[3-(3-methylphenyl)piperidin-1-yl]methanone
CID 70762769
N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylphenyl)piperidine-1-carboxamide
CID 119066687
(3R)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-3-(3-methylphenyl)piperidine-1-carboxamide
CID 126438496
[2-[3-[(4-methoxyphenoxy)methyl]piperidin-1-yl]-2-oxoethyl]urea
CID 70709054

Frequently Asked Questions

What is the IUPAC name of [2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea?
The IUPAC name of [2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea (CID 99971911) is [2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea.
What is the SMILES notation for [2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea?
The canonical SMILES for [2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea is Cc1cccc([C@H]2CCCN(C(=O)CNC(N)=O)C2)c1.
What is the InChIKey of [2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea?
The InChIKey is BMDGWJGQWNAHAI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11-4-2-5-12(8-11)13-6-3-7-18(10-13)14(19)9-17-15(16)20/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H3,16,17,20)/t13-/m0/s1.
What are the key properties of [2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea?
[2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea has a molecular weight of 275.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3R)-3-(3-methylphenyl)piperidin-1-yl]-2-oxoethyl]urea is sourced from PubChem (CID 99971911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).