1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea

C16H24ClN3O — CID 42473222

IUPAC1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN([C@H](C)CNC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-12-6-8-20(9-7-12)13(2)11-18-16(21)19-15-5-3-4-14(17)10-15/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,18,19,21)/t13-/m1/s1
InChIKeyIHOSEXFZLLQUKJ-CYBMUJFWSA-N
MW309.84 g/mol
LogP3.58
Rot. Bonds4

About 1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea

1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea (PubChem CID 42473222) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
PubChem CID42473222
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea
SMILESCC1CCN([C@H](C)CNC(=O)Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C16H24ClN3O/c1-12-6-8-20(9-7-12)13(2)11-18-16(21)19-15-5-3-4-14(17)10-15/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,18,19,21)/t13-/m1/s1
InChIKeyIHOSEXFZLLQUKJ-CYBMUJFWSA-N
XLogP3.58
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-4-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842233
methyl N-[4-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]phenyl]carbamate
CID 95154757
1-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 51127008
1-(2-ethyl-6-methylphenyl)-3-[2-(4-methylpiperidin-1-yl)propyl]urea
CID 16842222
N-(3-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 707662
N,2-dimethyl-3-[[(2R)-2-(4-methylpiperidin-1-yl)propyl]carbamoylamino]benzamide
CID 95154688
1-[2-(3-methylpiperidin-1-yl)propyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 56584237
N-(3-chlorophenyl)-3-(4-methylpiperidin-1-yl)propanamide
CID 109014570
1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
CID 90498971
methyl N-[3-[2-(4-methylpiperazin-1-yl)propylcarbamoylamino]phenyl]carbamate
CID 136571786
1-[2-(4-methylpiperidin-1-yl)propyl]-3-(pyridin-4-ylmethyl)urea
CID 60598083
N'-(3-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]oxamide
CID 16886583

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
The IUPAC name of 1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea (CID 42473222) is 1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea is CC1CCN([C@H](C)CNC(=O)Nc2cccc(Cl)c2)CC1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
The InChIKey is IHOSEXFZLLQUKJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-12-6-8-20(9-7-12)13(2)11-18-16(21)19-15-5-3-4-14(17)10-15/h3-5,10,12-13H,6-9,11H2,1-2H3,(H2,18,19,21)/t13-/m1/s1.
What are the key properties of 1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea?
1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea has a molecular weight of 309.84 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[(2R)-2-(4-methylpiperidin-1-yl)propyl]urea is sourced from PubChem (CID 42473222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).