7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one

C19H24N2O2 — CID 131663739

IUPAC7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCC(=O)N1CCC2(CC1)C(=O)N(CC1CC1)C2c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14(22)20-11-9-19(10-12-20)17(16-5-3-2-4-6-16)21(18(19)23)13-15-7-8-15/h2-6,15,17H,7-13H2,1H3
InChIKeyNCWILWOIQRWRCA-UHFFFAOYSA-N
MW312.41 g/mol
LogP2.61
Rot. Bonds3

About 7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one

7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one (PubChem CID 131663739) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one.

Molecular Properties

Compound Name7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
PubChem CID131663739
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one
SMILESCC(=O)N1CCC2(CC1)C(=O)N(CC1CC1)C2c1ccccc1
InChIInChI=1S/C19H24N2O2/c1-14(22)20-11-9-19(10-12-20)17(16-5-3-2-4-6-16)21(18(19)23)13-15-7-8-15/h2-6,15,17H,7-13H2,1H3
InChIKeyNCWILWOIQRWRCA-UHFFFAOYSA-N
XLogP2.61
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl)ethanone
CID 131655550
1-[(3aR,7aS)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]ethanone
CID 124522375
1-[(3aR,7aR)-1-methyl-3a-phenyl-2,3,4,5,7,7a-hexahydropyrrolo[2,3-c]pyridin-6-yl]ethanone
CID 98779316
1-[4-phenyl-4-(4-phenylpiperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 39581896
3-[(1-acetylpiperidin-4-yl)methyl]-8-benzyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 110085211
2-[1-[2-(1-methylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072042
5-methyl-4-phenyl-5-azaspiro[2.5]octan-8-one
CID 11401645
(3S,4R)-9-(1-acetylpiperidine-4-carbonyl)-4-hydroxy-3-phenyl-2,9-diazaspiro[5.5]undecan-1-one
CID 110160656
1-(cyclopropylmethyl)-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 102549060
2-[1-[2-(1-ethylpiperidin-4-yl)acetyl]piperidin-4-yl]-1-phenyl-2-azaspiro[3.5]nonan-3-one
CID 146072035
1-[(2S,4S)-4-[cyclopropylmethyl(ethyl)amino]-2-phenyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 110136168
1-[4-(2-phenoxyethyl)piperidin-1-yl]ethanone
CID 53150715

Frequently Asked Questions

What is the IUPAC name of 7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The IUPAC name of 7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one (CID 131663739) is 7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one.
What is the SMILES notation for 7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The canonical SMILES for 7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one is CC(=O)N1CCC2(CC1)C(=O)N(CC1CC1)C2c1ccccc1.
What is the InChIKey of 7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
The InChIKey is NCWILWOIQRWRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-14(22)20-11-9-19(10-12-20)17(16-5-3-2-4-6-16)21(18(19)23)13-15-7-8-15/h2-6,15,17H,7-13H2,1H3.
What are the key properties of 7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one?
7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one has a molecular weight of 312.41 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-acetyl-2-(cyclopropylmethyl)-1-phenyl-2,7-diazaspiro[3.5]nonan-3-one is sourced from PubChem (CID 131663739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).