[(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea

C17H24ClN3O3 — CID 95869074

IUPAC[(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
SMILESCC(C)[C@@H](NC(N)=O)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O3/c1-11(2)15(20-17(19)23)16(22)21-9-7-14(8-10-21)24-13-5-3-12(18)4-6-13/h3-6,11,14-15H,7-10H2,1-2H3,(H3,19,20,23)/t15-/m1/s1
InChIKeyMMPBFTLDPYCOCG-OAHLLOKOSA-N
MW353.85 g/mol
LogP2.40
Rot. Bonds5

About [(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea

[(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea (PubChem CID 95869074) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is [(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea.

Molecular Properties

Compound Name[(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
PubChem CID95869074
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name[(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea
SMILESCC(C)[C@@H](NC(N)=O)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H24ClN3O3/c1-11(2)15(20-17(19)23)16(22)21-9-7-14(8-10-21)24-13-5-3-12(18)4-6-13/h3-6,11,14-15H,7-10H2,1-2H3,(H3,19,20,23)/t15-/m1/s1
InChIKeyMMPBFTLDPYCOCG-OAHLLOKOSA-N
XLogP2.40
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea with MolForge

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Related Compounds

(2S)-2-amino-1-[4-(4-chlorophenoxy)piperidin-1-yl]propan-1-one
CID 67529016
4-chloro-N-[1-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 112836632
4-chloro-N-[(2R)-3-methyl-1-[4-[(5-methyl-2-pyridinyl)oxy]piperidin-1-yl]-1-oxobutan-2-yl]benzamide
CID 97259925
2-[4-(4-chlorophenoxy)piperidin-1-yl]-2-oxoacetic acid
CID 69100024
1-[4-(4-chlorophenoxy)piperidin-1-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
CID 70725620
[(2S)-1-[3-(3,4-dichlorophenoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]urea
CID 136580930
6-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-6-oxohexanoic acid
CID 70096196
(2R)-2-amino-3-methyl-1-(4-phenoxypiperidin-1-yl)butan-1-one
CID 79013212
(2R)-2-amino-1-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methylbutan-1-one;hydrochloride
CID 67530037
4-chloro-N-[(2S)-1-(3,5-dimethylpiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]benzamide
CID 43002401
(4-chlorophenyl)-[4-(4-methoxyphenoxy)piperidin-1-yl]methanone
CID 110396841
[2-[2-[[(2R)-1-[4-(4-chlorophenyl)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]phenyl] hypoiodite
CID 163737853

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea?
The IUPAC name of [(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea (CID 95869074) is [(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea.
What is the SMILES notation for [(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea?
The canonical SMILES for [(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea is CC(C)[C@@H](NC(N)=O)C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1.
What is the InChIKey of [(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea?
The InChIKey is MMPBFTLDPYCOCG-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-11(2)15(20-17(19)23)16(22)21-9-7-14(8-10-21)24-13-5-3-12(18)4-6-13/h3-6,11,14-15H,7-10H2,1-2H3,(H3,19,20,23)/t15-/m1/s1.
What are the key properties of [(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea?
[(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea has a molecular weight of 353.85 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-1-oxobutan-2-yl]urea is sourced from PubChem (CID 95869074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).