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

C23H43N3 — CID 174274213

IUPAC2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
SMILESCCCC1(CN2CCC3(CC2)CC(CN2CCN(C(C)C)CC2)C3)CC1
InChIInChI=1S/C23H43N3/c1-4-5-22(6-7-22)19-25-10-8-23(9-11-25)16-21(17-23)18-24-12-14-26(15-13-24)20(2)3/h20-21H,4-19H2,1-3H3
InChIKeyYQXDQILRZDPMRV-UHFFFAOYSA-N
MW361.62 g/mol
LogP4.08
Rot. Bonds7

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

2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane (PubChem CID 174274213) has the molecular formula C23H43N3 and a molecular weight of 361.62 g/mol. Its IUPAC name is 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
PubChem CID174274213
Molecular FormulaC23H43N3
Molecular Weight361.62 g/mol
Exact Mass361.35
IUPAC Name2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
SMILESCCCC1(CN2CCC3(CC2)CC(CN2CCN(C(C)C)CC2)C3)CC1
InChIInChI=1S/C23H43N3/c1-4-5-22(6-7-22)19-25-10-8-23(9-11-25)16-21(17-23)18-24-12-14-26(15-13-24)20(2)3/h20-21H,4-19H2,1-3H3
InChIKeyYQXDQILRZDPMRV-UHFFFAOYSA-N
XLogP4.08
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.62
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The IUPAC name of 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane (CID 174274213) is 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane is CCCC1(CN2CCC3(CC2)CC(CN2CCN(C(C)C)CC2)C3)CC1.
What is the InChIKey of 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
The InChIKey is YQXDQILRZDPMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H43N3/c1-4-5-22(6-7-22)19-25-10-8-23(9-11-25)16-21(17-23)18-24-12-14-26(15-13-24)20(2)3/h20-21H,4-19H2,1-3H3.
What are the key properties of 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane?
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane has a molecular weight of 361.62 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane is sourced from PubChem (CID 174274213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).