1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea

C21H25N3O — CID 51050042

IUPAC1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(NC1CCN(c2ccccc2)CC1)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C21H25N3O/c25-21(23-20-15-19(20)16-7-3-1-4-8-16)22-17-11-13-24(14-12-17)18-9-5-2-6-10-18/h1-10,17,19-20H,11-15H2,(H2,22,23,25)/t19-,20+/m1/s1
InChIKeyOKBCQVXLHZLMAA-UXHICEINSA-N
MW335.45 g/mol
LogP3.51
Rot. Bonds4

About 1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea

1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea (PubChem CID 51050042) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
PubChem CID51050042
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(NC1CCN(c2ccccc2)CC1)N[C@H]1C[C@@H]1c1ccccc1
InChIInChI=1S/C21H25N3O/c25-21(23-20-15-19(20)16-7-3-1-4-8-16)22-17-11-13-24(14-12-17)18-9-5-2-6-10-18/h1-10,17,19-20H,11-15H2,(H2,22,23,25)/t19-,20+/m1/s1
InChIKeyOKBCQVXLHZLMAA-UXHICEINSA-N
XLogP3.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095
cis-(1R,3S)-3-[(2-phenylcyclopropyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106319586
4-phenyl-N-(2-phenylcyclopropyl)piperazine-1-carboxamide
CID 3461621
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
CID 86842294
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine
CID 109387207
2-[(2-phenylcyclopropyl)amino]-1-(4-phenylpiperazin-1-yl)ethanone
CID 66978926
1-(1-phenylpiperidin-4-yl)-3-[4-(triazol-2-yl)phenyl]urea
CID 86830732
1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2-methyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 109387206
2-(2-fluorophenyl)-N-(1-phenylpiperidin-4-yl)acetamide
CID 110735879
4-[(2-phenylcyclopentyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122001828

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea?
The IUPAC name of 1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea (CID 51050042) is 1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea is O=C(NC1CCN(c2ccccc2)CC1)N[C@H]1C[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea?
The InChIKey is OKBCQVXLHZLMAA-UXHICEINSA-N. The full InChI is InChI=1S/C21H25N3O/c25-21(23-20-15-19(20)16-7-3-1-4-8-16)22-17-11-13-24(14-12-17)18-9-5-2-6-10-18/h1-10,17,19-20H,11-15H2,(H2,22,23,25)/t19-,20+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea?
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea has a molecular weight of 335.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea is sourced from PubChem (CID 51050042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).