2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one

C27H39N3O2 — CID 175641271

IUPAC2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(CCc2ccccc2)CCC12CCN(C(=O)C1(N3CCCCC3)CCCCC1)C2
InChIInChI=1S/C27H39N3O2/c31-24-26(15-20-28(24)19-12-23-10-4-1-5-11-23)16-21-29(22-26)25(32)27(13-6-2-7-14-27)30-17-8-3-9-18-30/h1,4-5,10-11H,2-3,6-9,12-22H2
InChIKeyZNOGPEVPPAWYHW-UHFFFAOYSA-N
MW437.63 g/mol
LogP3.87
Rot. Bonds5

About 2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one

2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one (PubChem CID 175641271) has the molecular formula C27H39N3O2 and a molecular weight of 437.63 g/mol. Its IUPAC name is 2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
PubChem CID175641271
Molecular FormulaC27H39N3O2
Molecular Weight437.63 g/mol
Exact Mass437.30
IUPAC Name2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one
SMILESO=C1N(CCc2ccccc2)CCC12CCN(C(=O)C1(N3CCCCC3)CCCCC1)C2
InChIInChI=1S/C27H39N3O2/c31-24-26(15-20-28(24)19-12-23-10-4-1-5-11-23)16-21-29(22-26)25(32)27(13-6-2-7-14-27)30-17-8-3-9-18-30/h1,4-5,10-11H,2-3,6-9,12-22H2
InChIKeyZNOGPEVPPAWYHW-UHFFFAOYSA-N
XLogP3.87
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.63
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
2-(cyclobutanecarbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45238173
7-(1-phenylcyclohexanecarbonyl)-2-propyl-2,7-diazaspiro[4.4]nonan-1-one
CID 175643999
7-(azepan-1-ylsulfonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 176506123
(5S)-2-(1-oxidopyridin-1-ium-4-carbonyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42357494
(5S)-2-(cyclopentanecarbonyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25456250
7-(2-phenylethyl)-2-(1,3-thiazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45169920
2-(2-phenylethyl)-7-(2,4,5-trimethoxybenzoyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175642991
2-(2-phenylethyl)-7-[6-(pyrrolidine-1-carbonyl)pyrazin-2-yl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175645650
7-[6-(dimethylamino)pyridine-3-carbonyl]-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175641011
2-(2-phenylethyl)-7-[2-(pyridin-3-ylamino)acetyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 175641180
7-(2-methylquinoline-6-carbonyl)-2-(2-phenylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175646411

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The IUPAC name of 2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one (CID 175641271) is 2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one.
What is the SMILES notation for 2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The canonical SMILES for 2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one is O=C1N(CCc2ccccc2)CCC12CCN(C(=O)C1(N3CCCCC3)CCCCC1)C2.
What is the InChIKey of 2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
The InChIKey is ZNOGPEVPPAWYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2/c31-24-26(15-20-28(24)19-12-23-10-4-1-5-11-23)16-21-29(22-26)25(32)27(13-6-2-7-14-27)30-17-8-3-9-18-30/h1,4-5,10-11H,2-3,6-9,12-22H2.
What are the key properties of 2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one?
2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one has a molecular weight of 437.63 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-7-(1-piperidin-1-ylcyclohexanecarbonyl)-2,7-diazaspiro[4.4]nonan-1-one is sourced from PubChem (CID 175641271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).