1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea

C14H19Cl2N3O — CID 11645361

IUPAC1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-19-4-2-13(3-5-19)18-14(20)17-9-10-6-11(15)8-12(16)7-10/h6-8,13H,2-5,9H2,1H3,(H2,17,18,20)
InChIKeyRPPGAMBGHZQVDM-UHFFFAOYSA-N
MW316.23 g/mol
LogP2.89
Rot. Bonds3

About 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea

1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea (PubChem CID 11645361) has the molecular formula C14H19Cl2N3O and a molecular weight of 316.23 g/mol. Its IUPAC name is 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
PubChem CID11645361
Molecular FormulaC14H19Cl2N3O
Molecular Weight316.23 g/mol
Exact Mass315.09
IUPAC Name1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
SMILESCN1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C14H19Cl2N3O/c1-19-4-2-13(3-5-19)18-14(20)17-9-10-6-11(15)8-12(16)7-10/h6-8,13H,2-5,9H2,1H3,(H2,17,18,20)
InChIKeyRPPGAMBGHZQVDM-UHFFFAOYSA-N
XLogP2.89
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.23
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-5-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 59684889
1-benzyl-3-(1-methylpiperidin-4-yl)urea
CID 11543306
1-[(3-hydroxy-5-methoxyphenyl)methyl]-3-(1-methylpiperidin-4-yl)urea
CID 143176546
1-[[3-(1,1-difluoroethyl)phenyl]methyl]-3-(1-methylpiperidin-4-yl)urea
CID 59684912
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
1-(1-methylpyrrolidin-3-yl)-3-(pyridin-4-ylmethyl)urea
CID 72561982
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
CID 110865945
N-cyclopropyl-2-(3,5-dichlorophenyl)acetamide
CID 110486749
(2R)-2-(3,5-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)propanamide
CID 95118355
N-[(3,5-dichlorophenyl)methyl]acetamide
CID 18425630
1-[2-(4-methoxyphenyl)ethyl]-3-(1-methylpiperidin-4-yl)urea
CID 11493037

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
The IUPAC name of 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea (CID 11645361) is 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea.
What is the SMILES notation for 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
The canonical SMILES for 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea is CN1CCC(NC(=O)NCc2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
The InChIKey is RPPGAMBGHZQVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2N3O/c1-19-4-2-13(3-5-19)18-14(20)17-9-10-6-11(15)8-12(16)7-10/h6-8,13H,2-5,9H2,1H3,(H2,17,18,20).
What are the key properties of 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea?
1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea has a molecular weight of 316.23 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dichlorophenyl)methyl]-3-(1-methylpiperidin-4-yl)urea is sourced from PubChem (CID 11645361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).