3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea

C14H20ClN3O — CID 106629815

IUPAC3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
SMILESCN(CC1CCCCN1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-18(10-13-6-2-3-8-16-13)14(19)17-12-7-4-5-11(15)9-12/h4-5,7,9,13,16H,2-3,6,8,10H2,1H3,(H,17,19)
InChIKeyJCPSXBOKFKJBEN-UHFFFAOYSA-N
MW281.79 g/mol
LogP2.95
Rot. Bonds3

About 3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea

3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea (PubChem CID 106629815) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
PubChem CID106629815
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
SMILESCN(CC1CCCCN1)C(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H20ClN3O/c1-18(10-13-6-2-3-8-16-13)14(19)17-12-7-4-5-11(15)9-12/h4-5,7,9,13,16H,2-3,6,8,10H2,1H3,(H,17,19)
InChIKeyJCPSXBOKFKJBEN-UHFFFAOYSA-N
XLogP2.95
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-fluorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629819
N-(3-chlorophenyl)-3-piperidin-2-ylpropanamide
CID 62212060
3-(4-methoxyphenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea
CID 106629798
N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614400
1-cyclopropyl-3-(3-fluorophenyl)-1-(piperidin-2-ylmethyl)urea
CID 106629695
1-methyl-3-naphthalen-1-yl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613136
(2R)-N-(3-chlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119671014
N-(3-iodophenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635710
3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706166
N-(3-ethylphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635534
N-[(3-chlorophenyl)methyl]-N-methyl-3-piperidin-2-ylpropanamide
CID 62210205
N-(3-methoxyphenyl)-2-[methyl(piperidin-2-ylmethyl)amino]acetamide
CID 106635727

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
The IUPAC name of 3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea (CID 106629815) is 3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea.
What is the SMILES notation for 3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
The canonical SMILES for 3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea is CN(CC1CCCCN1)C(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
The InChIKey is JCPSXBOKFKJBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-18(10-13-6-2-3-8-16-13)14(19)17-12-7-4-5-11(15)9-12/h4-5,7,9,13,16H,2-3,6,8,10H2,1H3,(H,17,19).
What are the key properties of 3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea?
3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea has a molecular weight of 281.79 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-methyl-1-(piperidin-2-ylmethyl)urea is sourced from PubChem (CID 106629815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).