N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

C23H25N5O3 — CID 30135469

IUPACN-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H25N5O3/c29-20(8-9-21-26-22(27-31-21)18-10-12-24-13-11-18)25-16-17-4-6-19(7-5-17)23(30)28-14-2-1-3-15-28/h4-7,10-13H,1-3,8-9,14-16H2,(H,25,29)
InChIKeyCMFIVQWKNDQKCI-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.01
Rot. Bonds7

About N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 30135469) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID30135469
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESO=C(CCc1nc(-c2ccncc2)no1)NCc1ccc(C(=O)N2CCCCC2)cc1
InChIInChI=1S/C23H25N5O3/c29-20(8-9-21-26-22(27-31-21)18-10-12-24-13-11-18)25-16-17-4-6-19(7-5-17)23(30)28-14-2-1-3-15-28/h4-7,10-13H,1-3,8-9,14-16H2,(H,25,29)
InChIKeyCMFIVQWKNDQKCI-UHFFFAOYSA-N
XLogP3.01
TPSA101.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)propanamide
CID 30547233
N-(1,3-benzodioxol-5-ylmethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17440928
3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-N-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)propanamide
CID 74251066
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 46493557
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 47043297
3-(3-phenyl-1,2,4-oxadiazol-5-yl)-N-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]propanamide
CID 8546312
N-[2-(4-fluorophenyl)ethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30210952
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 75465493
N-[[(2S)-oxolan-2-yl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 34750356
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 55803402
N-[(2-ethoxy-4-pyridinyl)methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 55707848
N-[2-(tert-butylamino)-2-oxoethyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30238639

Frequently Asked Questions

What is the IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 30135469) is N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is O=C(CCc1nc(-c2ccncc2)no1)NCc1ccc(C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is CMFIVQWKNDQKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c29-20(8-9-21-26-22(27-31-21)18-10-12-24-13-11-18)25-16-17-4-6-19(7-5-17)23(30)28-14-2-1-3-15-28/h4-7,10-13H,1-3,8-9,14-16H2,(H,25,29).
What are the key properties of N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 419.49 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 30135469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).