N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide

C23H29N3O2 — CID 23139858

IUPACN-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(N3CCC(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-28-22-10-8-20(9-11-22)24-23(27)26-16-21(17-26)25-14-12-19(13-15-25)18-6-4-3-5-7-18/h3-11,19,21H,2,12-17H2,1H3,(H,24,27)
InChIKeyKGVRYAMAWKSDQW-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.18
Rot. Bonds5

About N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide

N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide (PubChem CID 23139858) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide
PubChem CID23139858
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CC(N3CCC(c4ccccc4)CC3)C2)cc1
InChIInChI=1S/C23H29N3O2/c1-2-28-22-10-8-20(9-11-22)24-23(27)26-16-21(17-26)25-14-12-19(13-15-25)18-6-4-3-5-7-18/h3-11,19,21H,2,12-17H2,1H3,(H,24,27)
InChIKeyKGVRYAMAWKSDQW-UHFFFAOYSA-N
XLogP4.18
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-3-(4-phenylpiperidin-1-yl)pyrrolidine-1-carboxamide
CID 59764610
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-N-(4-ethoxyphenyl)azetidine-1-carboxamide
CID 146078584
N-(4-decoxyphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 3108313
(3S)-3-N-(4-ethoxyphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 7435320
N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187581
N-(4-ethoxyphenyl)-3-[3-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-1-carboxamide
CID 46334031
N-(4-ethoxyphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 42760936
N-(4-ethoxyphenyl)-3-(N-propylanilino)azetidine-1-carboxamide
CID 23140494
N-phenyl-3-pyrrolidin-1-ylazetidine-1-carboxamide
CID 23140407
3-[3-(cycloheptylcarbamoyl)phenyl]-N-(4-ethoxyphenyl)piperidine-1-carboxamide
CID 46334034
N-(4-ethoxyphenyl)-4-ethylpiperazin-4-ium-1-carboxamide
CID 7165091
N-(4-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 5177300

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide (CID 23139858) is N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide is CCOc1ccc(NC(=O)N2CC(N3CCC(c4ccccc4)CC3)C2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide?
The InChIKey is KGVRYAMAWKSDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-28-22-10-8-20(9-11-22)24-23(27)26-16-21(17-26)25-14-12-19(13-15-25)18-6-4-3-5-7-18/h3-11,19,21H,2,12-17H2,1H3,(H,24,27).
What are the key properties of N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide?
N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 23139858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).