6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one

C16H19ClN2O3 — CID 41075219

IUPAC6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESC[C@@H]1CCCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1
InChIInChI=1S/C16H19ClN2O3/c1-11-3-2-7-18(10-11)15(20)6-8-19-13-5-4-12(17)9-14(13)22-16(19)21/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m1/s1
InChIKeyBBGLOEJCSINJCV-LLVKDONJSA-N
MW322.79 g/mol
LogP2.90
Rot. Bonds3

About 6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one

6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one (PubChem CID 41075219) has the molecular formula C16H19ClN2O3 and a molecular weight of 322.79 g/mol. Its IUPAC name is 6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
PubChem CID41075219
Molecular FormulaC16H19ClN2O3
Molecular Weight322.79 g/mol
Exact Mass322.11
IUPAC Name6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
SMILESC[C@@H]1CCCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1
InChIInChI=1S/C16H19ClN2O3/c1-11-3-2-7-18(10-11)15(20)6-8-19-13-5-4-12(17)9-14(13)22-16(19)21/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m1/s1
InChIKeyBBGLOEJCSINJCV-LLVKDONJSA-N
XLogP2.90
TPSA55.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.79
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chloro-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-benzoxazol-2-one
CID 27670432
6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 60526702
(2S)-4-[3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoyl]-1-propan-2-ylpiperazine-2-carboxamide
CID 124944223
6-chloro-3-(3-oxo-3-thiomorpholin-4-ylpropyl)-1,3-benzoxazol-2-one
CID 56813513
6-chloro-3-[3-[(3S,4S)-4-hydroxy-4-methyl-3-phenoxypiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 110154997
6-chloro-3-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]-1,3-benzoxazol-2-one
CID 9226774
ethyl 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)propanoate
CID 121014059
6-chloro-3-[3-[(2S)-2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 94106733
2-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[(3R)-1-methylpiperidin-3-yl]acetamide
CID 51497975
3-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-6-chloro-1,3-benzoxazol-2-one
CID 41105401
3-[4-(3-aminopiperidin-1-yl)-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one
CID 119378530
ethyl (3S)-1-[3-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)propanoyl]piperidine-3-carboxylate
CID 26644115

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one (CID 41075219) is 6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one is C[C@@H]1CCCN(C(=O)CCn2c(=O)oc3cc(Cl)ccc32)C1.
What is the InChIKey of 6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
The InChIKey is BBGLOEJCSINJCV-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19ClN2O3/c1-11-3-2-7-18(10-11)15(20)6-8-19-13-5-4-12(17)9-14(13)22-16(19)21/h4-5,9,11H,2-3,6-8,10H2,1H3/t11-/m1/s1.
What are the key properties of 6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one?
6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one has a molecular weight of 322.79 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 41075219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).