1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea

C22H26N4O2 — CID 70086808

IUPAC1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea
SMILESN#Cc1cccc(N(C(=O)NCCO)C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N4O2/c23-16-19-7-4-8-21(15-19)26(22(28)24-11-14-27)20-9-12-25(13-10-20)17-18-5-2-1-3-6-18/h1-8,15,20,27H,9-14,17H2,(H,24,28)
InChIKeyQBJBOLDHKQKSHP-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.73
Rot. Bonds6

About 1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea

1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea (PubChem CID 70086808) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea
PubChem CID70086808
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea
SMILESN#Cc1cccc(N(C(=O)NCCO)C2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C22H26N4O2/c23-16-19-7-4-8-21(15-19)26(22(28)24-11-14-27)20-9-12-25(13-10-20)17-18-5-2-1-3-6-18/h1-8,15,20,27H,9-14,17H2,(H,24,28)
InChIKeyQBJBOLDHKQKSHP-UHFFFAOYSA-N
XLogP2.73
TPSA79.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-(1-benzylpiperidin-4-yl)-3-cyanoanilino)-N,N-diethylbenzamide
CID 21106887
1-(1-methylpiperidin-4-yl)-1-phenyl-3-(3-phenylpropyl)urea
CID 68749941
1-[1-(1,4-benzodioxin-6-ylmethyl)piperidin-4-yl]-1-[4-(3-cyanophenyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 154071699
2-[4-[(3-cyanophenyl)methyl]piperazin-1-yl]-N-phenylacetamide
CID 31692602
2-[(3R)-1-benzylpyrrolidin-3-yl]-N-(3-cyanophenyl)acetamide
CID 95784747
4-[(3-cyanophenyl)methyl]piperazine-1-carboxylic acid
CID 18662881
3-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]propanamide
CID 77083170
3-(4-bromophenyl)-1-(3-cyanophenyl)-1-cycloheptylurea
CID 54434825
4-(N-(1-benzylpiperidin-4-yl)-5-cyano-2-fluoroanilino)-N,N-diethylbenzamide
CID 21031260
3-[[(3S)-3-(hydroxymethyl)pyrrolidin-1-yl]methyl]benzonitrile
CID 129367782
N-[1-[(3-cyanophenyl)methyl]piperidin-4-yl]-2,4,5-trifluoro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 24731097
N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 46047800

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea (CID 70086808) is 1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea is N#Cc1cccc(N(C(=O)NCCO)C2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea?
The InChIKey is QBJBOLDHKQKSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c23-16-19-7-4-8-21(15-19)26(22(28)24-11-14-27)20-9-12-25(13-10-20)17-18-5-2-1-3-6-18/h1-8,15,20,27H,9-14,17H2,(H,24,28).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea?
1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea has a molecular weight of 378.48 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-1-(3-cyanophenyl)-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 70086808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).