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

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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).