N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

C21H29N5O3 — CID 92607961

IUPACN-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN1CCC(N(C[C@H]2CCCO2)C(=O)CCc2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C21H29N5O3/c1-25-12-9-16(10-13-25)26(15-17-5-4-14-28-17)20(27)8-7-19-23-21(24-29-19)18-6-2-3-11-22-18/h2-3,6,11,16-17H,4-5,7-10,12-15H2,1H3/t17-/m1/s1
InChIKeyGCRHXQBFDVUDPE-QGZVFWFLSA-N
MW399.50 g/mol
LogP2.17
Rot. Bonds7

About N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide

N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 92607961) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID92607961
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCN1CCC(N(C[C@H]2CCCO2)C(=O)CCc2nc(-c3ccccn3)no2)CC1
InChIInChI=1S/C21H29N5O3/c1-25-12-9-16(10-13-25)26(15-17-5-4-14-28-17)20(27)8-7-19-23-21(24-29-19)18-6-2-3-11-22-18/h2-3,6,11,16-17H,4-5,7-10,12-15H2,1H3/t17-/m1/s1
InChIKeyGCRHXQBFDVUDPE-QGZVFWFLSA-N
XLogP2.17
TPSA84.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-methyl-1-[[(2S)-oxolan-2-yl]methyl]-3-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 126449114
N,N-dipropyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 78869082
1-(4-methylpiperazin-4-ium-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 6931138
1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 87018941
1-[2-(1-aminoethyl)piperidin-1-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 119436794
N-(4-methylphenyl)-N-(2-oxo-2-piperidin-1-ylethyl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86934242
1-[(9aS)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 95590074
ethyl 4-[[2-[3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanoyloxy]acetyl]amino]piperidine-1-carboxylate
CID 46428065
N-pyridin-2-yl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 86980596
1-(2-methylpiperazin-1-yl)-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;dihydrochloride
CID 119472580
N-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 87006808
2-(2,6-dimethylquinolin-4-yl)oxy-N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 51586358

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 92607961) is N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is CN1CCC(N(C[C@H]2CCCO2)C(=O)CCc2nc(-c3ccccn3)no2)CC1.
What is the InChIKey of N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GCRHXQBFDVUDPE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-25-12-9-16(10-13-25)26(15-17-5-4-14-28-17)20(27)8-7-19-23-21(24-29-19)18-6-2-3-11-22-18/h2-3,6,11,16-17H,4-5,7-10,12-15H2,1H3/t17-/m1/s1.
What are the key properties of N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 399.50 g/mol, XLogP of 2.17, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 92607961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).