(4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C22H42N4O2 — CID 125462320

IUPAC(4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCCN(CC)C(=O)N1CCC2(CC1)C[C@H](N1CCN(CC(C)C)CC1)CCO2
InChIInChI=1S/C22H42N4O2/c1-5-24(6-2)21(27)26-10-8-22(9-11-26)17-20(7-16-28-22)25-14-12-23(13-15-25)18-19(3)4/h19-20H,5-18H2,1-4H3/t20-/m1/s1
InChIKeyMYRBVYONVASTII-HXUWFJFHSA-N
MW394.60 g/mol
LogP2.74
Rot. Bonds5

About (4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

(4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 125462320) has the molecular formula C22H42N4O2 and a molecular weight of 394.60 g/mol. Its IUPAC name is (4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound Name(4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID125462320
Molecular FormulaC22H42N4O2
Molecular Weight394.60 g/mol
Exact Mass394.33
IUPAC Name(4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESCCN(CC)C(=O)N1CCC2(CC1)C[C@H](N1CCN(CC(C)C)CC1)CCO2
InChIInChI=1S/C22H42N4O2/c1-5-24(6-2)21(27)26-10-8-22(9-11-26)17-20(7-16-28-22)25-14-12-23(13-15-25)18-19(3)4/h19-20H,5-18H2,1-4H3/t20-/m1/s1
InChIKeyMYRBVYONVASTII-HXUWFJFHSA-N
XLogP2.74
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.60
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4R)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462429
2-cyclopentyl-1-[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462412
[(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(oxan-4-yl)methanone
CID 125462383
(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 125462369
[(4R)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-pyridin-3-ylmethanone
CID 125462334
(4R)-9-(benzenesulfonyl)-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane
CID 125462282
N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919079
1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone
CID 91924298
1-(methylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]cyclopentane-1-carboxylic acid
CID 79651121
2-[4-(2,6-dioxaspiro[4.5]decan-9-yl)piperazin-1-yl]acetic acid
CID 79894117
cyclopropyl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462234
N-cyclopentyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919078

Frequently Asked Questions

What is the IUPAC name of (4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of (4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 125462320) is (4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for (4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for (4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is CCN(CC)C(=O)N1CCC2(CC1)C[C@H](N1CCN(CC(C)C)CC1)CCO2.
What is the InChIKey of (4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is MYRBVYONVASTII-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H42N4O2/c1-5-24(6-2)21(27)26-10-8-22(9-11-26)17-20(7-16-28-22)25-14-12-23(13-15-25)18-19(3)4/h19-20H,5-18H2,1-4H3/t20-/m1/s1.
What are the key properties of (4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
(4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 394.60 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N,N-diethyl-4-[4-(2-methylpropyl)piperazin-1-yl]-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 125462320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).