1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea

C18H21ClN4O — CID 154726993

IUPAC1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N(CN1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN4O/c19-15-6-4-8-17(12-15)23(14-22-10-2-1-3-11-22)18(24)21-16-7-5-9-20-13-16/h4-9,12-13H,1-3,10-11,14H2,(H,21,24)
InChIKeyFBHQJMOYIYXGEG-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.22
Rot. Bonds4

About 1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea

1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea (PubChem CID 154726993) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea
PubChem CID154726993
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC Name1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea
SMILESO=C(Nc1cccnc1)N(CN1CCCCC1)c1cccc(Cl)c1
InChIInChI=1S/C18H21ClN4O/c19-15-6-4-8-17(12-15)23(14-22-10-2-1-3-11-22)18(24)21-16-7-5-9-20-13-16/h4-9,12-13H,1-3,10-11,14H2,(H,21,24)
InChIKeyFBHQJMOYIYXGEG-UHFFFAOYSA-N
XLogP4.22
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chlorophenyl)-2-pyridin-3-ylpiperidine-1-carboxamide
CID 3751158
1-(3-cyanophenyl)-1-(2-piperazin-1-ylethyl)-3-pyridin-3-ylurea
CID 154704372
1-(3-cyanophenyl)-1-(2-cyclohexylethyl)-3-pyridin-3-ylurea
CID 154706334
1-methyl-3-pyridin-3-yl-1-[(2-pyrrolidin-1-ylphenyl)methyl]urea
CID 51264469
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
1-phenyl-1-propyl-3-pyridin-3-ylurea
CID 30845452
N-(3-chlorophenyl)-3-piperidin-1-ylpropanamide chloride
CID 53313683
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
1-(cyclopropylmethyl)-3-phenyl-1-pyridin-3-ylurea
CID 30845448
3-(3-chlorophenyl)-1-propan-2-yl-1-(pyridin-3-ylmethyl)urea
CID 47065731
1-[3-(4-benzylpiperidin-1-yl)propyl]-3-(3-chlorophenyl)-1-phenylurea;hydrochloride
CID 22676695
1-[3-(4-benzylpiperidin-1-yl)propyl]-1-(3-chlorophenyl)-3-(4-chlorophenyl)urea
CID 3008344

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea?
The IUPAC name of 1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea (CID 154726993) is 1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea.
What is the SMILES notation for 1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea?
The canonical SMILES for 1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea is O=C(Nc1cccnc1)N(CN1CCCCC1)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea?
The InChIKey is FBHQJMOYIYXGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c19-15-6-4-8-17(12-15)23(14-22-10-2-1-3-11-22)18(24)21-16-7-5-9-20-13-16/h4-9,12-13H,1-3,10-11,14H2,(H,21,24).
What are the key properties of 1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea?
1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea has a molecular weight of 344.85 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-1-(piperidin-1-ylmethyl)-3-pyridin-3-ylurea is sourced from PubChem (CID 154726993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).