1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea

C28H33N5O2 — CID 51726136

IUPAC1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea
SMILESC[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C28H33N5O2/c1-21(23-12-14-25(15-13-23)31-28(35)30-24-10-6-3-7-11-24)29-27(34)32-26-16-18-33(19-17-26)20-22-8-4-2-5-9-22/h2-15,21,26H,16-20H2,1H3,(H2,29,32,34)(H2,30,31,35)/t21-/m0/s1
InChIKeyRFPNQTNHECCPOL-NRFANRHFSA-N
MW471.61 g/mol
LogP5.36
Rot. Bonds7

About 1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea

1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea (PubChem CID 51726136) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea
PubChem CID51726136
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea
SMILESC[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1
InChIInChI=1S/C28H33N5O2/c1-21(23-12-14-25(15-13-23)31-28(35)30-24-10-6-3-7-11-24)29-27(34)32-26-16-18-33(19-17-26)20-22-8-4-2-5-9-22/h2-15,21,26H,16-20H2,1H3,(H2,29,32,34)(H2,30,31,35)/t21-/m0/s1
InChIKeyRFPNQTNHECCPOL-NRFANRHFSA-N
XLogP5.36
TPSA85.50 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.61
LogP ≤ 55.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze 1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea with MolForge

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Related Compounds

1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
(2S)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylbutanoic acid
CID 945258
2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylpentanoic acid
CID 5192686
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
2-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]carbamoylamino]-N,2-diphenylacetamide
CID 55912566
1-cyclopropyl-3-(1-phenylethyl)urea
CID 42924486
methyl (2S,3R)-2-[(1-benzylpiperidin-4-yl)carbamoylamino]-3-methylpentanoate
CID 7529321
(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
N-(1-benzylpiperidin-4-yl)-4-propan-2-ylbenzamide
CID 26681867
N-(1-benzylpiperidin-4-yl)-5-(phenylcarbamoylamino)thiophene-2-carboxamide
CID 78850266
N-(1-benzylpiperidin-4-yl)-4-[(2-chloroacetyl)amino]benzamide
CID 3044759

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea (CID 51726136) is 1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea is C[C@H](NC(=O)NC1CCN(Cc2ccccc2)CC1)c1ccc(NC(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea?
The InChIKey is RFPNQTNHECCPOL-NRFANRHFSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-21(23-12-14-25(15-13-23)31-28(35)30-24-10-6-3-7-11-24)29-27(34)32-26-16-18-33(19-17-26)20-22-8-4-2-5-9-22/h2-15,21,26H,16-20H2,1H3,(H2,29,32,34)(H2,30,31,35)/t21-/m0/s1.
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea?
1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea has a molecular weight of 471.61 g/mol, XLogP of 5.36, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-[(1S)-1-[4-(phenylcarbamoylamino)phenyl]ethyl]urea is sourced from PubChem (CID 51726136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).