N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

C24H38N4O4 — CID 118716723

IUPACN-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1
InChIInChI=1S/C24H38N4O4/c1-23(2,3)25-22(29)28-11-9-24(10-12-28)31-18-19(32-24)17-26-13-15-27(16-14-26)20-7-5-6-8-21(20)30-4/h5-8,19H,9-18H2,1-4H3,(H,25,29)
InChIKeyMUMWILQJBILXOV-UHFFFAOYSA-N
MW446.59 g/mol
LogP2.53
Rot. Bonds4

About N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide

N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (PubChem CID 118716723) has the molecular formula C24H38N4O4 and a molecular weight of 446.59 g/mol. Its IUPAC name is N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
PubChem CID118716723
Molecular FormulaC24H38N4O4
Molecular Weight446.59 g/mol
Exact Mass446.29
IUPAC NameN-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
SMILESCOc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1
InChIInChI=1S/C24H38N4O4/c1-23(2,3)25-22(29)28-11-9-24(10-12-28)31-18-19(32-24)17-26-13-15-27(16-14-26)20-7-5-6-8-21(20)30-4/h5-8,19H,9-18H2,1-4H3,(H,25,29)
InChIKeyMUMWILQJBILXOV-UHFFFAOYSA-N
XLogP2.53
TPSA66.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.59
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The IUPAC name of N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide (CID 118716723) is N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide.
What is the SMILES notation for N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The canonical SMILES for N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is COc1ccccc1N1CCN(CC2COC3(CCN(C(=O)NC(C)(C)C)CC3)O2)CC1.
What is the InChIKey of N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
The InChIKey is MUMWILQJBILXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O4/c1-23(2,3)25-22(29)28-11-9-24(10-12-28)31-18-19(32-24)17-26-13-15-27(16-14-26)20-7-5-6-8-21(20)30-4/h5-8,19H,9-18H2,1-4H3,(H,25,29).
What are the key properties of N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide?
N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide has a molecular weight of 446.59 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 118716723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).