N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide

C23H27N5O2 — CID 55921774

IUPACN-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(CCCc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C23H27N5O2/c1-17-9-12-24-20(16-17)25-23(29)19-10-14-28(15-11-19)13-5-8-21-26-22(27-30-21)18-6-3-2-4-7-18/h2-4,6-7,9,12,16,19H,5,8,10-11,13-15H2,1H3,(H,24,25,29)
InChIKeyVOEGVZLMGIDBMG-UHFFFAOYSA-N
MW405.50 g/mol
LogP3.72
Rot. Bonds7

About N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide

N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide (PubChem CID 55921774) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
PubChem CID55921774
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC NameN-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide
SMILESCc1ccnc(NC(=O)C2CCN(CCCc3nc(-c4ccccc4)no3)CC2)c1
InChIInChI=1S/C23H27N5O2/c1-17-9-12-24-20(16-17)25-23(29)19-10-14-28(15-11-19)13-5-8-21-26-22(27-30-21)18-6-3-2-4-7-18/h2-4,6-7,9,12,16,19H,5,8,10-11,13-15H2,1H3,(H,24,25,29)
InChIKeyVOEGVZLMGIDBMG-UHFFFAOYSA-N
XLogP3.72
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxylic acid
CID 119907371
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 26674950
N-(2-methoxy-5-methylphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114976
N-[3-(azepan-1-yl)propyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38115484
N-[3-(azepan-1-yl)propyl]-1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38140624
N-(3-methylphenyl)-1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-4-carboxamide
CID 38141561
N-[(4-methylphenyl)methyl]-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114940
1-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenylethyl)piperidine-4-carboxamide
CID 38139524
1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-pyridin-2-ylpiperidine-4-carboxamide
CID 55994634
5-[3-(4,7-diethyl-1,4,7-triazonan-1-yl)propyl]-3-phenyl-1,2,4-oxadiazole
CID 166258341
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-naphthalen-1-ylpiperidine-4-carboxamide
CID 38141616
N-(3-bromophenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 38114825

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide?
The IUPAC name of N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide (CID 55921774) is N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide?
The canonical SMILES for N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide is Cc1ccnc(NC(=O)C2CCN(CCCc3nc(-c4ccccc4)no3)CC2)c1.
What is the InChIKey of N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide?
The InChIKey is VOEGVZLMGIDBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-17-9-12-24-20(16-17)25-23(29)19-10-14-28(15-11-19)13-5-8-21-26-22(27-30-21)18-6-3-2-4-7-18/h2-4,6-7,9,12,16,19H,5,8,10-11,13-15H2,1H3,(H,24,25,29).
What are the key properties of N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide?
N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyridinyl)-1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 55921774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).