N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

C22H33N3O2 — CID 91908254

IUPACN-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC2(CC1)CC(N1CCCC1)CCO2
InChIInChI=1S/C22H33N3O2/c26-21(23-12-8-19-6-2-1-3-7-19)25-15-10-22(11-16-25)18-20(9-17-27-22)24-13-4-5-14-24/h1-3,6-7,20H,4-5,8-18H2,(H,23,26)
InChIKeyLNBZGSITHBPXQQ-UHFFFAOYSA-N
MW371.53 g/mol
LogP3.05
Rot. Bonds4

About N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide

N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (PubChem CID 91908254) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
PubChem CID91908254
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC NameN-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
SMILESO=C(NCCc1ccccc1)N1CCC2(CC1)CC(N1CCCC1)CCO2
InChIInChI=1S/C22H33N3O2/c26-21(23-12-8-19-6-2-1-3-7-19)25-15-10-22(11-16-25)18-20(9-17-27-22)24-13-4-5-14-24/h1-3,6-7,20H,4-5,8-18H2,(H,23,26)
InChIKeyLNBZGSITHBPXQQ-UHFFFAOYSA-N
XLogP3.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-[4-(2-methylpropyl)piperazin-1-yl]-N-(2-phenylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 125462369
3-phenyl-1-[(4S)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]propan-1-one
CID 125462444
N-ethyl-4-morpholin-4-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91919079
2-phenyl-1-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]ethanone
CID 125462353
4-(cyclopentanecarbonyl)-N-(2-phenylethyl)piperazine-1-carboxamide
CID 23819080
cyclopropyl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462234
N-tert-butyl-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 91924297
oxan-4-yl-[(4R)-4-(4-phenylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 125462293
2-[9-(1-benzylpiperidin-4-yl)-1-oxa-9-azaspiro[5.5]undecan-4-yl]-1-pyrrolidin-1-ylethanone
CID 91919408
N-benzyl-4-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 71192982
(3R)-8-(2-phenylethylcarbamoyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97148975
5-hydroxy-N-(2-pyridin-4-ylethyl)-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 119066269

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The IUPAC name of N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide (CID 91908254) is N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is O=C(NCCc1ccccc1)N1CCC2(CC1)CC(N1CCCC1)CCO2.
What is the InChIKey of N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
The InChIKey is LNBZGSITHBPXQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O2/c26-21(23-12-8-19-6-2-1-3-7-19)25-15-10-22(11-16-25)18-20(9-17-27-22)24-13-4-5-14-24/h1-3,6-7,20H,4-5,8-18H2,(H,23,26).
What are the key properties of N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide?
N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide has a molecular weight of 371.53 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-4-pyrrolidin-1-yl-1-oxa-9-azaspiro[5.5]undecane-9-carboxamide is sourced from PubChem (CID 91908254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).