tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate

C22H41N3O2 — CID 22975802

IUPACtert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC2(CCN(CCC3CCNCC3)CC2)CC1
InChIInChI=1S/C22H41N3O2/c1-21(2,3)27-20(26)18-25-16-9-22(10-17-25)7-14-24(15-8-22)13-6-19-4-11-23-12-5-19/h19,23H,4-18H2,1-3H3
InChIKeyJGUODCJGCCJPHE-UHFFFAOYSA-N
MW379.59 g/mol
LogP2.90
Rot. Bonds5

About tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate

tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate (PubChem CID 22975802) has the molecular formula C22H41N3O2 and a molecular weight of 379.59 g/mol. Its IUPAC name is tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate
PubChem CID22975802
Molecular FormulaC22H41N3O2
Molecular Weight379.59 g/mol
Exact Mass379.32
IUPAC Nametert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate
SMILESCC(C)(C)OC(=O)CN1CCC2(CCN(CCC3CCNCC3)CC2)CC1
InChIInChI=1S/C22H41N3O2/c1-21(2,3)27-20(26)18-25-16-9-22(10-17-25)7-14-24(15-8-22)13-6-19-4-11-23-12-5-19/h19,23H,4-18H2,1-3H3
InChIKeyJGUODCJGCCJPHE-UHFFFAOYSA-N
XLogP2.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.59
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate with MolForge

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Related Compounds

2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 158970546
4,4-dimethyl-1-(2-piperidin-4-ylethyl)piperidine
CID 62937944
tert-butyl 2-[4-(2-oxopropyl)-1,4,7-triazonan-1-yl]acetate
CID 118026423
2-methyl-8-(2-piperidin-4-ylethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 166113679
tert-butyl 2-[4-[(4-piperazin-1-ylpiperidin-1-yl)methyl]piperidin-1-yl]acetate
CID 163378049
tert-butyl 2-[4-(4-methyl-2-oxopent-3-enyl)-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 70971706
tert-butyl N-[3-(2-piperidin-4-ylethyl)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 176897655
tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate;tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7-triazonan-1-yl]acetate;1,5-diazacyclododecane;1,4,8,12-tetrazacyclopentadecane;1,4,8,11-tetrazacyclotetradecane;1,4,7,10-tetrazacyclotridecane
CID 167628059
tert-butyl 2-[4-(2-aminoethyl)piperazin-1-yl]acetate
CID 113366617
tert-butyl 2-[4-(2-aminoethyl)-7,10-bis[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 24944493
tert-butyl 2-[4-(aminomethyl)piperidin-1-yl]acetate;ethane
CID 142118025
tert-butyl 4-[2-[4-(2-ethoxy-2-oxoethyl)piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 20641747

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate?
The IUPAC name of tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate (CID 22975802) is tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate.
What is the SMILES notation for tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate?
The canonical SMILES for tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate is CC(C)(C)OC(=O)CN1CCC2(CCN(CCC3CCNCC3)CC2)CC1.
What is the InChIKey of tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate?
The InChIKey is JGUODCJGCCJPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H41N3O2/c1-21(2,3)27-20(26)18-25-16-9-22(10-17-25)7-14-24(15-8-22)13-6-19-4-11-23-12-5-19/h19,23H,4-18H2,1-3H3.
What are the key properties of tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate?
tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate has a molecular weight of 379.59 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetate is sourced from PubChem (CID 22975802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).