6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one

C20H26ClN3O3 — CID 60526702

IUPAC6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one
SMILESCC1CCCN(C(=O)C2CCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)C1
InChIInChI=1S/C20H26ClN3O3/c1-14-3-2-8-23(12-14)19(25)15-6-9-22(10-7-15)13-24-17-5-4-16(21)11-18(17)27-20(24)26/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3
InChIKeyOHFIDHWMIXTKIA-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.18
Rot. Bonds3

About 6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one

6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one (PubChem CID 60526702) has the molecular formula C20H26ClN3O3 and a molecular weight of 391.90 g/mol. Its IUPAC name is 6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one
PubChem CID60526702
Molecular FormulaC20H26ClN3O3
Molecular Weight391.90 g/mol
Exact Mass391.17
IUPAC Name6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one
SMILESCC1CCCN(C(=O)C2CCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)C1
InChIInChI=1S/C20H26ClN3O3/c1-14-3-2-8-23(12-14)19(25)15-6-9-22(10-7-15)13-24-17-5-4-16(21)11-18(17)27-20(24)26/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3
InChIKeyOHFIDHWMIXTKIA-UHFFFAOYSA-N
XLogP3.18
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one with MolForge

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Related Compounds

6-chloro-3-[3-[(3R)-3-methylpiperidin-1-yl]-3-oxopropyl]-1,3-benzoxazol-2-one
CID 41075219
1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55865731
N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
CID 55813629
1-[(5-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
CID 47023313
6-chloro-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1,3-benzoxazol-2-one
CID 27670432
6-bromo-3-[(4-methylpiperidin-1-yl)methyl]-1,3-benzoxazol-2-one
CID 36698782
[(3S)-3-methylpiperidin-1-yl]-[1-[(4-propan-2-ylphenyl)methyl]piperidin-4-yl]methanone
CID 1096649
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 3148930
3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-1,3-benzoxazol-2-one
CID 9206469
5-chloro-3-[1-(cyclohexanecarbonyl)piperidin-3-yl]-1,3-benzoxazol-2-one
CID 46959716
[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-[(3S)-3-methylpiperidin-1-yl]methanone
CID 807250
[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-(3-methylpiperidin-1-yl)methanone;hydrochloride
CID 163328033

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one (CID 60526702) is 6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one is CC1CCCN(C(=O)C2CCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)C1.
What is the InChIKey of 6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one?
The InChIKey is OHFIDHWMIXTKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O3/c1-14-3-2-8-23(12-14)19(25)15-6-9-22(10-7-15)13-24-17-5-4-16(21)11-18(17)27-20(24)26/h4-5,11,14-15H,2-3,6-10,12-13H2,1H3.
What are the key properties of 6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one?
6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one has a molecular weight of 391.90 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 60526702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).