1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea

C23H27N5O — CID 86837888

IUPAC1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(Cn2cccn2)c1)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C23H27N5O/c29-23(26-21-9-5-10-22(16-21)27-12-2-1-3-13-27)24-17-19-7-4-8-20(15-19)18-28-14-6-11-25-28/h4-11,14-16H,1-3,12-13,17-18H2,(H2,24,26,29)
InChIKeyFHKXXEZYWHUGJX-UHFFFAOYSA-N
MW389.50 g/mol
LogP4.24
Rot. Bonds6

About 1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea

1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea (PubChem CID 86837888) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
PubChem CID86837888
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
SMILESO=C(NCc1cccc(Cn2cccn2)c1)Nc1cccc(N2CCCCC2)c1
InChIInChI=1S/C23H27N5O/c29-23(26-21-9-5-10-22(16-21)27-12-2-1-3-13-27)24-17-19-7-4-8-20(15-19)18-28-14-6-11-25-28/h4-11,14-16H,1-3,12-13,17-18H2,(H2,24,26,29)
InChIKeyFHKXXEZYWHUGJX-UHFFFAOYSA-N
XLogP4.24
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-fluorophenyl)methyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837430
1-(4-chlorophenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 47062469
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
1-(4-methoxy-3-methylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87035704
1-[(2-morpholin-4-yl-3-pyridinyl)methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 47033840
1-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 47050365
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopropane-1-carboxamide
CID 119744676
1-amino-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119301019
1-[[3-[2-(dimethylamino)ethoxy]phenyl]methyl]-3-(3-piperidin-1-ylphenyl)urea
CID 86837498
(2S)-2-methyl-3-pyrazol-1-yl-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 51495526
1-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea
CID 87037090
(2R)-2-phenyl-2-piperidin-1-yl-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 92613321

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The IUPAC name of 1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea (CID 86837888) is 1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The canonical SMILES for 1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea is O=C(NCc1cccc(Cn2cccn2)c1)Nc1cccc(N2CCCCC2)c1.
What is the InChIKey of 1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
The InChIKey is FHKXXEZYWHUGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c29-23(26-21-9-5-10-22(16-21)27-12-2-1-3-13-27)24-17-19-7-4-8-20(15-19)18-28-14-6-11-25-28/h4-11,14-16H,1-3,12-13,17-18H2,(H2,24,26,29).
What are the key properties of 1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea?
1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea has a molecular weight of 389.50 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-1-ylphenyl)-3-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]urea is sourced from PubChem (CID 86837888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).