N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C19H27N3O2 — CID 71921021

IUPACN-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NC1CCCN(c2ccccc2)C1)N1CCC2(CCOC2)C1
InChIInChI=1S/C19H27N3O2/c23-18(22-11-8-19(14-22)9-12-24-15-19)20-16-5-4-10-21(13-16)17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,20,23)
InChIKeyPEJVAUOCCXPMKZ-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.48
Rot. Bonds2

About N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 71921021) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID71921021
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(NC1CCCN(c2ccccc2)C1)N1CCC2(CCOC2)C1
InChIInChI=1S/C19H27N3O2/c23-18(22-11-8-19(14-22)9-12-24-15-19)20-16-5-4-10-21(13-16)17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,20,23)
InChIKeyPEJVAUOCCXPMKZ-UHFFFAOYSA-N
XLogP2.48
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111444148
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357
N-[(3S)-1-phenylpyrrolidin-3-yl]pyrrolidine-1-carboxamide
CID 95155812
2-amino-2-(oxan-4-yl)-N-(1-phenylpiperidin-3-yl)acetamide;dihydrochloride
CID 120800731
(1-phenylpiperidin-3-yl)urea
CID 121416777
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 126792098
(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99606652
2-(hydroxymethyl)-N-(1-phenylpiperidin-3-yl)pyrrolidine-1-carboxamide
CID 111428348
4-(hydroxymethyl)-N-(1-phenylpyrrolidin-3-yl)piperidine-1-carboxamide
CID 111106611
N-(1-phenylpiperidin-3-yl)morpholine-3-carboxamide
CID 119888738
N-(2-methyl-2,3-dihydro-1H-inden-1-yl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 84600448
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 71921021) is N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(NC1CCCN(c2ccccc2)C1)N1CCC2(CCOC2)C1.
What is the InChIKey of N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is PEJVAUOCCXPMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c23-18(22-11-8-19(14-22)9-12-24-15-19)20-16-5-4-10-21(13-16)17-6-2-1-3-7-17/h1-3,6-7,16H,4-5,8-15H2,(H,20,23).
What are the key properties of N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpiperidin-3-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 71921021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).