1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

C22H27N3O3 — CID 45226535

IUPAC1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C22H27N3O3/c26-22(18-7-11-25(12-8-18)15-17-9-13-27-16-17)24-19-3-5-20(6-4-19)28-21-2-1-10-23-14-21/h1-6,10,14,17-18H,7-9,11-13,15-16H2,(H,24,26)
InChIKeyXWTVKZCMVNMRER-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.56
Rot. Bonds6

About 1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide

1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (PubChem CID 45226535) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is 1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
PubChem CID45226535
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(CC2CCOC2)CC1
InChIInChI=1S/C22H27N3O3/c26-22(18-7-11-25(12-8-18)15-17-9-13-27-16-17)24-19-3-5-20(6-4-19)28-21-2-1-10-23-14-21/h1-6,10,14,17-18H,7-9,11-13,15-16H2,(H,24,26)
InChIKeyXWTVKZCMVNMRER-UHFFFAOYSA-N
XLogP3.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-pyridin-3-yloxyphenyl)cyclopentanecarboxamide
CID 154837757
1-(2,3-dihydro-1H-inden-2-yl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide
CID 42533025
(3R,5R)-N-(4-methoxyphenyl)-1-methyl-5-[1-[[(3R)-oxolan-3-yl]methyl]piperidin-4-yl]pyrrolidine-3-carboxamide
CID 124820774
(2S)-1-[(E)-2-methylbut-2-enyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42533238
1-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]-3-(4-pyridin-3-yloxyphenyl)urea
CID 72904612
1-[(4-chlorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45022180
N-[2-(3-methoxyphenyl)phenyl]-1-(oxolan-3-ylmethyl)piperidine-4-carboxamide
CID 126461711
1-[(4-fluorophenyl)methyl]-N-(4-phenoxyphenyl)piperidine-4-carboxamide
CID 45014769
N-[4-(oxolan-3-ylmethylamino)phenyl]cyclopropanecarboxamide
CID 43204093
(2R)-1-[[5-(methoxymethyl)furan-2-yl]methyl]-N-(4-pyridin-3-yloxyphenyl)piperidine-2-carboxamide
CID 42522707
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
N-(4-phenoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114849

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide (CID 45226535) is 1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is O=C(Nc1ccc(Oc2cccnc2)cc1)C1CCN(CC2CCOC2)CC1.
What is the InChIKey of 1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
The InChIKey is XWTVKZCMVNMRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c26-22(18-7-11-25(12-8-18)15-17-9-13-27-16-17)24-19-3-5-20(6-4-19)28-21-2-1-10-23-14-21/h1-6,10,14,17-18H,7-9,11-13,15-16H2,(H,24,26).
What are the key properties of 1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide?
1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-3-ylmethyl)-N-(4-pyridin-3-yloxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 45226535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).