7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane

C20H39N3 — CID 146548384

IUPAC7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCC(C)N1CCC2(CCN(CC3CCN(C(C)(C)C)CC3)C2)C1
InChIInChI=1S/C20H39N3/c1-17(2)22-13-9-20(16-22)8-12-21(15-20)14-18-6-10-23(11-7-18)19(3,4)5/h17-18H,6-16H2,1-5H3
InChIKeyQYDPDIFQIPHQQQ-UHFFFAOYSA-N
MW321.55 g/mol
LogP3.30
Rot. Bonds3

About 7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane

7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane (PubChem CID 146548384) has the molecular formula C20H39N3 and a molecular weight of 321.55 g/mol. Its IUPAC name is 7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
PubChem CID146548384
Molecular FormulaC20H39N3
Molecular Weight321.55 g/mol
Exact Mass321.31
IUPAC Name7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCC(C)N1CCC2(CCN(CC3CCN(C(C)(C)C)CC3)C2)C1
InChIInChI=1S/C20H39N3/c1-17(2)22-13-9-20(16-22)8-12-21(15-20)14-18-6-10-23(11-7-18)19(3,4)5/h17-18H,6-16H2,1-5H3
InChIKeyQYDPDIFQIPHQQQ-UHFFFAOYSA-N
XLogP3.30
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.55
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane (CID 146548384) is 7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane is CC(C)N1CCC2(CCN(CC3CCN(C(C)(C)C)CC3)C2)C1.
What is the InChIKey of 7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
The InChIKey is QYDPDIFQIPHQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3/c1-17(2)22-13-9-20(16-22)8-12-21(15-20)14-18-6-10-23(11-7-18)19(3,4)5/h17-18H,6-16H2,1-5H3.
What are the key properties of 7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane?
7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane has a molecular weight of 321.55 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-tert-butylpiperidin-4-yl)methyl]-2-propan-2-yl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 146548384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).