1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea

C19H22ClN3O — CID 6464249

IUPAC1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O/c20-17-6-2-3-7-18(17)22-19(24)21-16-10-8-15(9-11-16)14-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H2,21,22,24)
InChIKeyUBABFXTUUWDKDL-UHFFFAOYSA-N
MW343.86 g/mol
LogP4.97
Rot. Bonds4

About 1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea

1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea (PubChem CID 6464249) has the molecular formula C19H22ClN3O and a molecular weight of 343.86 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea
PubChem CID6464249
Molecular FormulaC19H22ClN3O
Molecular Weight343.86 g/mol
Exact Mass343.15
IUPAC Name1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea
SMILESO=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccccc1Cl
InChIInChI=1S/C19H22ClN3O/c20-17-6-2-3-7-18(17)22-19(24)21-16-10-8-15(9-11-16)14-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H2,21,22,24)
InChIKeyUBABFXTUUWDKDL-UHFFFAOYSA-N
XLogP4.97
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.86
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
2-(azepan-1-yl)-N-(2-chlorophenyl)acetamide
CID 2070988
2-chloro-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]benzamide
CID 3306868
1-(2,3-dichlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]thiourea;hydrochloride
CID 2956827
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
1-(2-chlorophenyl)-3-[4-(4-hydroxypiperidin-1-yl)phenyl]urea
CID 47070264
1-(2,5-dimethoxyphenyl)-3-[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17174383
4-(2-chlorophenoxy)-N-[4-(piperidin-1-ylmethyl)phenyl]butanamide
CID 108762073
4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
2-[4-[(4-bromophenyl)methyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide
CID 39782572
(3S)-N-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]piperidine-3-carboxamide
CID 93490504

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea?
The IUPAC name of 1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea (CID 6464249) is 1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea.
What is the SMILES notation for 1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea?
The canonical SMILES for 1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea is O=C(Nc1ccc(CN2CCCCC2)cc1)Nc1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea?
The InChIKey is UBABFXTUUWDKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O/c20-17-6-2-3-7-18(17)22-19(24)21-16-10-8-15(9-11-16)14-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-14H2,(H2,21,22,24).
What are the key properties of 1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea?
1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea has a molecular weight of 343.86 g/mol, XLogP of 4.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-[4-(piperidin-1-ylmethyl)phenyl]urea is sourced from PubChem (CID 6464249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).