2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one

C20H29N3O — CID 70788640

IUPAC2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)c1cccc(N2CCCC3(CCC(=O)N(C4CC4)C3)C2)n1
InChIInChI=1S/C20H29N3O/c1-15(2)17-5-3-6-18(21-17)22-12-4-10-20(13-22)11-9-19(24)23(14-20)16-7-8-16/h3,5-6,15-16H,4,7-14H2,1-2H3
InChIKeyDHNZFYAPKDFVLQ-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.58
Rot. Bonds3

About 2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one

2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70788640) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70788640
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCC(C)c1cccc(N2CCCC3(CCC(=O)N(C4CC4)C3)C2)n1
InChIInChI=1S/C20H29N3O/c1-15(2)17-5-3-6-18(21-17)22-12-4-10-20(13-22)11-9-19(24)23(14-20)16-7-8-16/h3,5-6,15-16H,4,7-14H2,1-2H3
InChIKeyDHNZFYAPKDFVLQ-UHFFFAOYSA-N
XLogP3.58
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70788640) is 2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one is CC(C)c1cccc(N2CCCC3(CCC(=O)N(C4CC4)C3)C2)n1.
What is the InChIKey of 2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is DHNZFYAPKDFVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-15(2)17-5-3-6-18(21-17)22-12-4-10-20(13-22)11-9-19(24)23(14-20)16-7-8-16/h3,5-6,15-16H,4,7-14H2,1-2H3.
What are the key properties of 2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one?
2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 327.47 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-8-(6-propan-2-yl-2-pyridinyl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70788640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).