1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea

C22H25N3O2 — CID 102557345

IUPAC1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea
SMILESCN(C(=O)NC1CC1c1ccccc1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C22H25N3O2/c1-24(22(27)23-19-15-18(19)16-9-4-2-5-10-16)20-13-8-14-25(21(20)26)17-11-6-3-7-12-17/h2-7,9-12,18-20H,8,13-15H2,1H3,(H,23,27)
InChIKeySVCQNKBOOYKFGC-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.38
Rot. Bonds4

About 1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea

1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea (PubChem CID 102557345) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea
PubChem CID102557345
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea
SMILESCN(C(=O)NC1CC1c1ccccc1)C1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C22H25N3O2/c1-24(22(27)23-19-15-18(19)16-9-4-2-5-10-16)20-13-8-14-25(21(20)26)17-11-6-3-7-12-17/h2-7,9-12,18-20H,8,13-15H2,1H3,(H,23,27)
InChIKeySVCQNKBOOYKFGC-UHFFFAOYSA-N
XLogP3.38
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2R)-N-methyl-N-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 129427173
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119792209
4-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide
CID 119328406
N-methyl-4-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)butanamide;hydrochloride
CID 119792208
1-hydroxy-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopentane-1-carboxamide
CID 111389802
1-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)cyclopropane-1-carboxamide
CID 119792199
1-methyl-1-[(3R)-2-oxo-1-phenylpiperidin-3-yl]-3-[[(3S)-thiolan-3-yl]methyl]urea
CID 124887163
N-methyl-2-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)acetamide
CID 119776453
1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea
CID 95980251
2-amino-N-methyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119328400
2-amino-N-methyl-2-(4-methylphenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 120668615
2-amino-N,2-dimethyl-N-(2-oxo-1-phenylpiperidin-3-yl)pentanamide
CID 119792253

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea?
The IUPAC name of 1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea (CID 102557345) is 1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea.
What is the SMILES notation for 1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea?
The canonical SMILES for 1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea is CN(C(=O)NC1CC1c1ccccc1)C1CCCN(c2ccccc2)C1=O.
What is the InChIKey of 1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea?
The InChIKey is SVCQNKBOOYKFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-24(22(27)23-19-15-18(19)16-9-4-2-5-10-16)20-13-8-14-25(21(20)26)17-11-6-3-7-12-17/h2-7,9-12,18-20H,8,13-15H2,1H3,(H,23,27).
What are the key properties of 1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea?
1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea has a molecular weight of 363.46 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-oxo-1-phenylpiperidin-3-yl)-3-(2-phenylcyclopropyl)urea is sourced from PubChem (CID 102557345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).