1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone

C19H35N3O — CID 176559306

IUPAC1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CC(CN1CCN(CC(C)C)CC1)C2
InChIInChI=1S/C19H35N3O/c1-16(2)14-20-8-10-21(11-9-20)15-18-12-19(13-18)4-6-22(7-5-19)17(3)23/h16,18H,4-15H2,1-3H3
InChIKeyDOJQPSLRKHRWLY-UHFFFAOYSA-N
MW321.51 g/mol
LogP2.30
Rot. Bonds4

About 1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone

1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone (PubChem CID 176559306) has the molecular formula C19H35N3O and a molecular weight of 321.51 g/mol. Its IUPAC name is 1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone.

Molecular Properties

Compound Name1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone
PubChem CID176559306
Molecular FormulaC19H35N3O
Molecular Weight321.51 g/mol
Exact Mass321.28
IUPAC Name1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CC(CN1CCN(CC(C)C)CC1)C2
InChIInChI=1S/C19H35N3O/c1-16(2)14-20-8-10-21(11-9-20)15-18-12-19(13-18)4-6-22(7-5-19)17(3)23/h16,18H,4-15H2,1-3H3
InChIKeyDOJQPSLRKHRWLY-UHFFFAOYSA-N
XLogP2.30
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.51
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone with MolForge

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Related Compounds

1-[(4R)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462429
7-[[1-(2-methylpropyl)piperidin-4-yl]methyl]-2-prop-1-en-2-yloxy-7-azaspiro[3.5]nonane
CID 155036623
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
1-[9-[(4-methylpiperidin-1-yl)methyl]-3-azaspiro[5.5]undecan-3-yl]ethanone
CID 174195325
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525
4-methyl-1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pent-4-en-1-one
CID 170953549
1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 155579599
ethane;1-[4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazin-1-yl]ethanone
CID 170617031
2-methyl-1-[2-[(5-propyl-2-oxa-5,8-diazaspiro[3.5]nonan-8-yl)methyl]-7-azaspiro[3.5]nonan-7-yl]propan-1-one
CID 176559588
7-(2-methylpropyl)-2-propan-2-yloxy-7-azaspiro[3.5]nonane
CID 155751089
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone?
The IUPAC name of 1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone (CID 176559306) is 1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone.
What is the SMILES notation for 1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone?
The canonical SMILES for 1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone is CC(=O)N1CCC2(CC1)CC(CN1CCN(CC(C)C)CC1)C2.
What is the InChIKey of 1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone?
The InChIKey is DOJQPSLRKHRWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O/c1-16(2)14-20-8-10-21(11-9-20)15-18-12-19(13-18)4-6-22(7-5-19)17(3)23/h16,18H,4-15H2,1-3H3.
What are the key properties of 1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone?
1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone has a molecular weight of 321.51 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-7-azaspiro[3.5]nonan-7-yl]ethanone is sourced from PubChem (CID 176559306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).