N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C23H27N5O3 — CID 55952247

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1CN1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C23H27N5O3/c1-30-20-5-3-2-4-18(20)16-28-14-10-19(11-15-28)25-21(29)6-7-22-26-23(27-31-22)17-8-12-24-13-9-17/h2-5,8-9,12-13,19H,6-7,10-11,14-16H2,1H3,(H,25,29)
InChIKeyGWRBOZZBWHJJAW-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.85
Rot. Bonds8

About N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 55952247) has the molecular formula C23H27N5O3 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID55952247
Molecular FormulaC23H27N5O3
Molecular Weight421.50 g/mol
Exact Mass421.21
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCOc1ccccc1CN1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1
InChIInChI=1S/C23H27N5O3/c1-30-20-5-3-2-4-18(20)16-28-14-10-19(11-15-28)25-21(29)6-7-22-26-23(27-31-22)17-8-12-24-13-9-17/h2-5,8-9,12-13,19H,6-7,10-11,14-16H2,1H3,(H,25,29)
InChIKeyGWRBOZZBWHJJAW-UHFFFAOYSA-N
XLogP2.85
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135441
ethyl 4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]piperidine-1-carboxylate
CID 31369329
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]propanamide
CID 49056484
N-[(2-methoxyphenyl)methyl]-3-[3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 50832232
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9270323
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 25479419
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 49072892
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
N-[4-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30216368
4-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-N-phenylpiperidine-1-carboxamide
CID 55502231
3-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 55705568

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 55952247) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is COc1ccccc1CN1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is GWRBOZZBWHJJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O3/c1-30-20-5-3-2-4-18(20)16-28-14-10-19(11-15-28)25-21(29)6-7-22-26-23(27-31-22)17-8-12-24-13-9-17/h2-5,8-9,12-13,19H,6-7,10-11,14-16H2,1H3,(H,25,29).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 421.50 g/mol, XLogP of 2.85, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 55952247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).