[1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea

C13H15Cl2N3O3 — CID 154739739

IUPAC[1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H15Cl2N3O3/c14-7-5-9(15)11(10(19)6-7)12(20)18-3-1-8(2-4-18)17-13(16)21/h5-6,8,19H,1-4H2,(H3,16,17,21)
InChIKeyFDSOCICRLVQDJB-UHFFFAOYSA-N
MW332.19 g/mol
LogP1.97
Rot. Bonds2

About [1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea

[1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea (PubChem CID 154739739) has the molecular formula C13H15Cl2N3O3 and a molecular weight of 332.19 g/mol. Its IUPAC name is [1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea.

Molecular Properties

Compound Name[1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea
PubChem CID154739739
Molecular FormulaC13H15Cl2N3O3
Molecular Weight332.19 g/mol
Exact Mass331.05
IUPAC Name[1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea
SMILESNC(=O)NC1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1
InChIInChI=1S/C13H15Cl2N3O3/c14-7-5-9(15)11(10(19)6-7)12(20)18-3-1-8(2-4-18)17-13(16)21/h5-6,8,19H,1-4H2,(H3,16,17,21)
InChIKeyFDSOCICRLVQDJB-UHFFFAOYSA-N
XLogP1.97
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.19
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
CID 96570731
N-[(3R)-1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-3-yl]acetamide
CID 96570730
(2,4-dichloro-6-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023032
(2,4-dichloro-6-hydroxyphenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 155561420
1-[4-(2,4,6-trichloroanilino)piperidin-1-yl]ethanone
CID 43773654
N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]-2-methylpropanamide
CID 108558507
(4-chloropiperidin-1-yl)-(2,6-dihydroxyphenyl)methanone
CID 107691006
N-[1-(3-bromo-5-chlorobenzoyl)piperidin-4-yl]acetamide
CID 103826810
4-chloro-N-[1-(2,5-dichlorobenzoyl)piperidin-4-yl]benzamide
CID 108550166
2,4-dichloro-N-[1-(3-hydroxybenzoyl)piperidin-4-yl]benzamide
CID 108567215
N-[1-(2-chloro-6-fluorobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558235
[1-(4-chlorobenzoyl)piperidin-4-yl]carbamic acid
CID 154188443

Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea?
The IUPAC name of [1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea (CID 154739739) is [1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea.
What is the SMILES notation for [1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea?
The canonical SMILES for [1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea is NC(=O)NC1CCN(C(=O)c2c(O)cc(Cl)cc2Cl)CC1.
What is the InChIKey of [1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea?
The InChIKey is FDSOCICRLVQDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3O3/c14-7-5-9(15)11(10(19)6-7)12(20)18-3-1-8(2-4-18)17-13(16)21/h5-6,8,19H,1-4H2,(H3,16,17,21).
What are the key properties of [1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea?
[1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea has a molecular weight of 332.19 g/mol, XLogP of 1.97, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichloro-6-hydroxybenzoyl)piperidin-4-yl]urea is sourced from PubChem (CID 154739739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).