2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane

C24H45N3 — CID 174275793

IUPAC2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
SMILESCCCC1(CN2CCC3(CC2)CC(C)(CN2CCN(C(C)C)CC2)C3)CC1
InChIInChI=1S/C24H45N3/c1-5-6-23(7-8-23)20-25-11-9-24(10-12-25)17-22(4,18-24)19-26-13-15-27(16-14-26)21(2)3/h21H,5-20H2,1-4H3
InChIKeyANZPQZUWQHGEQZ-UHFFFAOYSA-N
MW375.65 g/mol
LogP4.47
Rot. Bonds7

About 2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane

2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane (PubChem CID 174275793) has the molecular formula C24H45N3 and a molecular weight of 375.65 g/mol. Its IUPAC name is 2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
PubChem CID174275793
Molecular FormulaC24H45N3
Molecular Weight375.65 g/mol
Exact Mass375.36
IUPAC Name2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
SMILESCCCC1(CN2CCC3(CC2)CC(C)(CN2CCN(C(C)C)CC2)C3)CC1
InChIInChI=1S/C24H45N3/c1-5-6-23(7-8-23)20-25-11-9-24(10-12-25)17-22(4,18-24)19-26-13-15-27(16-14-26)21(2)3/h21H,5-20H2,1-4H3
InChIKeyANZPQZUWQHGEQZ-UHFFFAOYSA-N
XLogP4.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.65
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174275638
7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 177083654
ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane
CID 171658027
1-propan-2-yl-4,4-dipropylpiperidine
CID 89468851
4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171748518
1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505376
6-[(4-fluoro-1-propan-2-ylpiperidin-4-yl)methyl]-3-[(1-propylcyclopropyl)methyl]-3,6-diazabicyclo[3.1.1]heptane
CID 174276524
2-[(4-butan-2-ylpiperazin-1-yl)methyl]-2-fluoro-7-[[1-(2-methylbutyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
CID 171658115
4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 174291983
2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171748434
[1-[(4-butan-2-ylpiperazin-1-yl)methyl]cyclopropyl]methanamine
CID 115453832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane (CID 174275793) is 2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane is CCCC1(CN2CCC3(CC2)CC(C)(CN2CCN(C(C)C)CC2)C3)CC1.
What is the InChIKey of 2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The InChIKey is ANZPQZUWQHGEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3/c1-5-6-23(7-8-23)20-25-11-9-24(10-12-25)17-22(4,18-24)19-26-13-15-27(16-14-26)21(2)3/h21H,5-20H2,1-4H3.
What are the key properties of 2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane has a molecular weight of 375.65 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 174275793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).