7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

C17H31N3O — CID 59333122

IUPAC7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
SMILESCC(C)N1CCCN(C(=O)C2CC3(CCNCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-14(2)19-8-3-9-20(11-10-19)16(21)15-12-17(13-15)4-6-18-7-5-17/h14-15,18H,3-13H2,1-2H3
InChIKeyZWFZCPVYCUOTIF-UHFFFAOYSA-N
MW293.45 g/mol
LogP1.71
Rot. Bonds2

About 7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone

7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone (PubChem CID 59333122) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
PubChem CID59333122
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
SMILESCC(C)N1CCCN(C(=O)C2CC3(CCNCC3)C2)CC1
InChIInChI=1S/C17H31N3O/c1-14(2)19-8-3-9-20(11-10-19)16(21)15-12-17(13-15)4-6-18-7-5-17/h14-15,18H,3-13H2,1-2H3
InChIKeyZWFZCPVYCUOTIF-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone with MolForge

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Related Compounds

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CID 110196188
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CID 110196189
1-[4-(2-Amino-3-methylbutanoyl)-2-methylpiperazin-1-yl]-3,5,5-trimethylhexan-1-one
CID 3890162
(2-(Aminomethyl)-3-methylpiperidin-1-yl)(cyclobutyl)methanone
CID 64021106
5-[4-(2,3,3-Trimethylbutanoyl)piperazin-1-yl]azepan-2-one
CID 121582407
(4S)-N-[(1-ethylcyclobutyl)methyl]-4-(4-methylpiperazin-1-yl)pentanamide
CID 125447972
3-[(3-Ethyl-3-methylpiperidin-1-yl)methyl]azepan-2-one
CID 136560730
(4S)-4-(4-methylpiperazin-1-yl)-N-[[1-(2-methylpropyl)cyclobutyl]methyl]pentanamide
CID 164637520
(4,4-Dimethylazepan-1-yl)-[5-(trifluoromethyl)piperidin-2-yl]methanone
CID 114908900
1-(Cyclobutylcarbonyl)-4-piperidin-4-yl-1,4-diazepane
CID 56710692
N-cyclopropyl-3-[4-(1-propylcyclobutanecarbonyl)piperazin-1-yl]propanamide
CID 71852651
5,5-Dimethyl-3-(methylamino)-1-propylazepan-2-one
CID 20590014

Frequently Asked Questions

What is the IUPAC name of 7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of 7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone (CID 59333122) is 7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for 7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for 7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone is CC(C)N1CCCN(C(=O)C2CC3(CCNCC3)C2)CC1.
What is the InChIKey of 7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is ZWFZCPVYCUOTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(2)19-8-3-9-20(11-10-19)16(21)15-12-17(13-15)4-6-18-7-5-17/h14-15,18H,3-13H2,1-2H3.
What are the key properties of 7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone?
7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 293.45 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azaspiro[3.5]nonan-2-yl-(4-propan-2-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 59333122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).