tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate

C23H35N5O3 — CID 171844086

IUPACtert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccnc(N3CCC4(CCCCNC4=O)C3)c2)CC1
InChIInChI=1S/C23H35N5O3/c1-22(2,3)31-21(30)27-14-12-26(13-15-27)18-6-10-24-19(16-18)28-11-8-23(17-28)7-4-5-9-25-20(23)29/h6,10,16H,4-5,7-9,11-15,17H2,1-3H3,(H,25,29)
InChIKeyGFOIAZVXLGACSO-UHFFFAOYSA-N
MW429.57 g/mol
LogP2.64
Rot. Bonds2

About tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate

tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate (PubChem CID 171844086) has the molecular formula C23H35N5O3 and a molecular weight of 429.57 g/mol. Its IUPAC name is tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate
PubChem CID171844086
Molecular FormulaC23H35N5O3
Molecular Weight429.57 g/mol
Exact Mass429.27
IUPAC Nametert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(c2ccnc(N3CCC4(CCCCNC4=O)C3)c2)CC1
InChIInChI=1S/C23H35N5O3/c1-22(2,3)31-21(30)27-14-12-26(13-15-27)18-6-10-24-19(16-18)28-11-8-23(17-28)7-4-5-9-25-20(23)29/h6,10,16H,4-5,7-9,11-15,17H2,1-3H3,(H,25,29)
InChIKeyGFOIAZVXLGACSO-UHFFFAOYSA-N
XLogP2.64
TPSA78.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 1-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 45074355
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.5]decane-9-carboxylate
CID 86326950
tert-butyl (5R)-1-oxo-2,9-diazaspiro[4.6]undecane-9-carboxylate
CID 124518584
tert-butyl 4-(2-chloro-4-pyridinyl)-1,4-diazepane-1-carboxylate
CID 103694307
tert-butyl (5S)-1-oxo-2,7-diazaspiro[4.4]nonane-7-carboxylate
CID 86330800
tert-butyl 4-[2-(chloromethoxycarbonyl)-4-pyridinyl]piperazine-1-carboxylate
CID 165438967
tert-butyl 4-(4-cyano-2-pyridinyl)-1,4-diazepane-1-carboxylate
CID 75365577
CID 160639767
CID 160639767
tert-butyl 4-[4-(2,6-dioxopiperidin-3-yl)-2-pyridinyl]-1,4-diazepane-1-carboxylate
CID 167190323
2-[3-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]phenyl]acetic acid
CID 155669790
tert-butyl 4-(4-pyrimidin-2-ylphenyl)piperazine-1-carboxylate
CID 59511347
tert-butyl 4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperazine-1-carboxylate
CID 137307991

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate (CID 171844086) is tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(c2ccnc(N3CCC4(CCCCNC4=O)C3)c2)CC1.
What is the InChIKey of tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate?
The InChIKey is GFOIAZVXLGACSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O3/c1-22(2,3)31-21(30)27-14-12-26(13-15-27)18-6-10-24-19(16-18)28-11-8-23(17-28)7-4-5-9-25-20(23)29/h6,10,16H,4-5,7-9,11-15,17H2,1-3H3,(H,25,29).
What are the key properties of tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate?
tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate has a molecular weight of 429.57 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-(6-oxo-2,7-diazaspiro[4.6]undecan-2-yl)-4-pyridinyl]piperazine-1-carboxylate is sourced from PubChem (CID 171844086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).