5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one

C24H35ClN2O3 — CID 23028922

IUPAC5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one
SMILESCC(C)Oc1ccc(Cl)c(CC2CCN(CC3COC(=O)N(CC4CC4)C3)CC2)c1
InChIInChI=1S/C24H35ClN2O3/c1-17(2)30-22-5-6-23(25)21(12-22)11-18-7-9-26(10-8-18)13-20-15-27(14-19-3-4-19)24(28)29-16-20/h5-6,12,17-20H,3-4,7-11,13-16H2,1-2H3
InChIKeySVJKXEQHZIGTAC-UHFFFAOYSA-N
MW435.01 g/mol
LogP4.86
Rot. Bonds8

About 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one

5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one (PubChem CID 23028922) has the molecular formula C24H35ClN2O3 and a molecular weight of 435.01 g/mol. Its IUPAC name is 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one.

Molecular Properties

Compound Name5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one
PubChem CID23028922
Molecular FormulaC24H35ClN2O3
Molecular Weight435.01 g/mol
Exact Mass434.23
IUPAC Name5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one
SMILESCC(C)Oc1ccc(Cl)c(CC2CCN(CC3COC(=O)N(CC4CC4)C3)CC2)c1
InChIInChI=1S/C24H35ClN2O3/c1-17(2)30-22-5-6-23(25)21(12-22)11-18-7-9-26(10-8-18)13-20-15-27(14-19-3-4-19)24(28)29-16-20/h5-6,12,17-20H,3-4,7-11,13-16H2,1-2H3
InChIKeySVJKXEQHZIGTAC-UHFFFAOYSA-N
XLogP4.86
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.01
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one with MolForge

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Related Compounds

1-[6-(4-Chloro-3-ethylphenoxy)hexyl]-4-methylpiperidine
CID 2364403
2-(4-Chloro-3-methylphenoxy)-1-{2-[2-(morpholin-4-YL)ethyl]piperidin-1-YL}ethan-1-one
CID 23607132
Tert-butyl 4-[4-chloro-3-(4-chlorophenyl)-2-fluorophenoxy]piperidine-1-carboxylate
CID 146380612
4-[4-Chloro-3-(4-chlorophenyl)-2-fluorophenoxy]piperidine-1-carboxylic acid
CID 146380744
Tert-butyl 4-[3-[(4-chloro-2-fluorophenyl)methoxy]phenyl]piperidine-1-carboxylate
CID 155090491
Tert-butyl 4-[4-chloro-3-(trifluoromethyl)phenoxy]piperidine-1-carboxylate
CID 159837076
Tert-butyl 4-[3-[(4-chlorophenyl)methyl]-2-fluorophenoxy]piperidine-1-carboxylate
CID 167388679
Tert-butyl 4-[5-[(4-chloro-2-fluorophenyl)methyl]-2-fluorophenoxy]piperidine-1-carboxylate
CID 167388879
Tert-butyl 4-[3-[(4-chloro-2-fluorophenoxy)methyl]phenoxy]piperidine-1-carboxylate
CID 167494405
1-[3-(4-Chloro-3-methylphenoxy)-3-phenylpropyl]-4-methylpiperazine
CID 46068812
Ethyl 4-[[4-(5-chloro-2-methoxyphenyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 11682669
Ethyl 4-(4-chlorophenoxy)-3-phenylpiperidine-1-carboxylate
CID 12788453

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one?
The IUPAC name of 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one (CID 23028922) is 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one.
What is the SMILES notation for 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one?
The canonical SMILES for 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one is CC(C)Oc1ccc(Cl)c(CC2CCN(CC3COC(=O)N(CC4CC4)C3)CC2)c1.
What is the InChIKey of 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one?
The InChIKey is SVJKXEQHZIGTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35ClN2O3/c1-17(2)30-22-5-6-23(25)21(12-22)11-18-7-9-26(10-8-18)13-20-15-27(14-19-3-4-19)24(28)29-16-20/h5-6,12,17-20H,3-4,7-11,13-16H2,1-2H3.
What are the key properties of 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one?
5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one has a molecular weight of 435.01 g/mol, XLogP of 4.86, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(2-chloro-5-propan-2-yloxyphenyl)methyl]piperidin-1-yl]methyl]-3-(cyclopropylmethyl)-1,3-oxazinan-2-one is sourced from PubChem (CID 23028922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).