3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea

C13H18ClN3O — CID 63643002

IUPAC3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)C1CCCNC1
InChIInChI=1S/C13H18ClN3O/c1-17(12-3-2-8-15-9-12)13(18)16-11-6-4-10(14)5-7-11/h4-7,12,15H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyYPMZDQRVMGBPKK-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.56
Rot. Bonds2

About 3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea

3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea (PubChem CID 63643002) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea
PubChem CID63643002
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea
SMILESCN(C(=O)Nc1ccc(Cl)cc1)C1CCCNC1
InChIInChI=1S/C13H18ClN3O/c1-17(12-3-2-8-15-9-12)13(18)16-11-6-4-10(14)5-7-11/h4-7,12,15H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyYPMZDQRVMGBPKK-UHFFFAOYSA-N
XLogP2.56
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-piperidin-3-yl-1-propylurea
CID 63637628
N-(4-chlorophenyl)-2-[ethyl(piperidin-3-yl)amino]acetamide
CID 63638006
3-(4-cyanophenyl)-1-methyl-1-pyrrolidin-3-ylurea
CID 63297846
3-(2,4-difluorophenyl)-1-methyl-1-piperidin-3-ylurea
CID 60800156
1-methyl-3-(4-nitrophenyl)-1-pyrrolidin-3-ylurea
CID 63297706
1-(azepan-4-yl)-3-(4-cyanophenyl)-1-methylurea
CID 107172674
3-(4-chlorophenyl)-1-[(1R,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706051
N-(3-chloro-4-fluorophenyl)-2-[methyl(piperidin-3-yl)amino]acetamide
CID 63643377
4-chloro-N-[2-[methyl(piperidin-3-yl)amino]acetyl]benzamide
CID 63644286
1-(azetidin-3-yl)-1-methyl-3-[4-(trifluoromethyl)phenyl]urea
CID 66186397
3-(4-aminophenyl)-1-cycloheptyl-1-methylurea
CID 43614356
1-methyl-1-piperidin-3-yl-3-propylurea
CID 60800516

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea?
The IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea (CID 63643002) is 3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea?
The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea is CN(C(=O)Nc1ccc(Cl)cc1)C1CCCNC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea?
The InChIKey is YPMZDQRVMGBPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-17(12-3-2-8-15-9-12)13(18)16-11-6-4-10(14)5-7-11/h4-7,12,15H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of 3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea?
3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea has a molecular weight of 267.76 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-methyl-1-piperidin-3-ylurea is sourced from PubChem (CID 63643002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).