1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea

C21H24ClN3O2 — CID 93095549

IUPAC1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C21H24ClN3O2/c22-17-9-11-18(12-10-17)23-21(27)24-19(15-16-7-3-1-4-8-16)20(26)25-13-5-2-6-14-25/h1,3-4,7-12,19H,2,5-6,13-15H2,(H2,23,24,27)/t19-/m0/s1
InChIKeyDHUGCFCCDJVBCM-IBGZPJMESA-N
MW385.90 g/mol
LogP4.09
Rot. Bonds5

About 1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea

1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea (PubChem CID 93095549) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea
PubChem CID93095549
Molecular FormulaC21H24ClN3O2
Molecular Weight385.90 g/mol
Exact Mass385.16
IUPAC Name1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea
SMILESO=C(Nc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1
InChIInChI=1S/C21H24ClN3O2/c22-17-9-11-18(12-10-17)23-21(27)24-19(15-16-7-3-1-4-8-16)20(26)25-13-5-2-6-14-25/h1,3-4,7-12,19H,2,5-6,13-15H2,(H2,23,24,27)/t19-/m0/s1
InChIKeyDHUGCFCCDJVBCM-IBGZPJMESA-N
XLogP4.09
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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8-[(2,6-Dichlorophenyl)methyl]-3-[2-(methylamino)ethyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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8-[(2,6-Dichlorophenyl)methyl]-1-phenyl-3-[2-(propan-2-ylamino)ethyl]-1,3,8-triazaspiro[4.5]decan-4-one
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8-[Bis(2-chlorophenyl)methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
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US10717708, Example 86
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N-(4-chlorophenyl)-N'-(2-oxoazepan-3-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea (CID 93095549) is 1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea is O=C(Nc1ccc(Cl)cc1)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea?
The InChIKey is DHUGCFCCDJVBCM-IBGZPJMESA-N. The full InChI is InChI=1S/C21H24ClN3O2/c22-17-9-11-18(12-10-17)23-21(27)24-19(15-16-7-3-1-4-8-16)20(26)25-13-5-2-6-14-25/h1,3-4,7-12,19H,2,5-6,13-15H2,(H2,23,24,27)/t19-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea?
1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea has a molecular weight of 385.90 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]urea is sourced from PubChem (CID 93095549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).