tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate

C24H45N3O3 — CID 71025658

IUPACtert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate
SMILESCCCC(O)C1CNCCC12CCN(C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2
InChIInChI=1S/C24H45N3O3/c1-6-7-20(28)19-18-25-13-8-24(19)11-16-27(17-12-24)23(5)9-14-26(15-10-23)21(29)30-22(2,3)4/h19-20,25,28H,6-18H2,1-5H3
InChIKeyQKFGLUWAZPTXIM-UHFFFAOYSA-N
MW423.64 g/mol
LogP3.63
Rot. Bonds4

About tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate

tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate (PubChem CID 71025658) has the molecular formula C24H45N3O3 and a molecular weight of 423.64 g/mol. Its IUPAC name is tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate
PubChem CID71025658
Molecular FormulaC24H45N3O3
Molecular Weight423.64 g/mol
Exact Mass423.35
IUPAC Nametert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate
SMILESCCCC(O)C1CNCCC12CCN(C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2
InChIInChI=1S/C24H45N3O3/c1-6-7-20(28)19-18-25-13-8-24(19)11-16-27(17-12-24)23(5)9-14-26(15-10-23)21(29)30-22(2,3)4/h19-20,25,28H,6-18H2,1-5H3
InChIKeyQKFGLUWAZPTXIM-UHFFFAOYSA-N
XLogP3.63
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.64
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate (CID 71025658) is tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate is CCCC(O)C1CNCCC12CCN(C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2.
What is the InChIKey of tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate?
The InChIKey is QKFGLUWAZPTXIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3O3/c1-6-7-20(28)19-18-25-13-8-24(19)11-16-27(17-12-24)23(5)9-14-26(15-10-23)21(29)30-22(2,3)4/h19-20,25,28H,6-18H2,1-5H3.
What are the key properties of tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate?
tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate has a molecular weight of 423.64 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[11-(1-hydroxybutyl)-3,9-diazaspiro[5.5]undecan-3-yl]-4-methylpiperidine-1-carboxylate is sourced from PubChem (CID 71025658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).