3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C27H33N3O3 — CID 134805950

IUPAC3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)c1ccc(C(=O)N2CCC3(CC2)OC(=O)N(CC2CC2)C3(C)c2cccnc2)cc1
InChIInChI=1S/C27H33N3O3/c1-19(2)21-8-10-22(11-9-21)24(31)29-15-12-27(13-16-29)26(3,23-5-4-14-28-17-23)30(25(32)33-27)18-20-6-7-20/h4-5,8-11,14,17,19-20H,6-7,12-13,15-16,18H2,1-3H3
InChIKeyNWLFXIHBNZOTKG-UHFFFAOYSA-N
MW447.58 g/mol
LogP4.96
Rot. Bonds5

About 3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 134805950) has the molecular formula C27H33N3O3 and a molecular weight of 447.58 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID134805950
Molecular FormulaC27H33N3O3
Molecular Weight447.58 g/mol
Exact Mass447.25
IUPAC Name3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCC(C)c1ccc(C(=O)N2CCC3(CC2)OC(=O)N(CC2CC2)C3(C)c2cccnc2)cc1
InChIInChI=1S/C27H33N3O3/c1-19(2)21-8-10-22(11-9-21)24(31)29-15-12-27(13-16-29)26(3,23-5-4-14-28-17-23)30(25(32)33-27)18-20-6-7-20/h4-5,8-11,14,17,19-20H,6-7,12-13,15-16,18H2,1-3H3
InChIKeyNWLFXIHBNZOTKG-UHFFFAOYSA-N
XLogP4.96
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.58
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 134805950) is 3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CC(C)c1ccc(C(=O)N2CCC3(CC2)OC(=O)N(CC2CC2)C3(C)c2cccnc2)cc1.
What is the InChIKey of 3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is NWLFXIHBNZOTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O3/c1-19(2)21-8-10-22(11-9-21)24(31)29-15-12-27(13-16-29)26(3,23-5-4-14-28-17-23)30(25(32)33-27)18-20-6-7-20/h4-5,8-11,14,17,19-20H,6-7,12-13,15-16,18H2,1-3H3.
What are the key properties of 3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 447.58 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-4-methyl-8-(4-propan-2-ylbenzoyl)-4-pyridin-3-yl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134805950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).