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

C21H29N5O3 — CID 138030802

IUPACN-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
SMILESCc1ccnc(CNC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1
InChIInChI=1S/C21H29N5O3/c1-15-2-7-22-18(12-15)14-23-21(27)26-8-3-16(4-9-26)13-19-24-20(25-29-19)17-5-10-28-11-6-17/h2,7,12,16-17H,3-6,8-11,13-14H2,1H3,(H,23,27)
InChIKeyMNGNHPAKFOBQEP-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.83
Rot. Bonds5

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

N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide (PubChem CID 138030802) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
PubChem CID138030802
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC NameN-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide
SMILESCc1ccnc(CNC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1
InChIInChI=1S/C21H29N5O3/c1-15-2-7-22-18(12-15)14-23-21(27)26-8-3-16(4-9-26)13-19-24-20(25-29-19)17-5-10-28-11-6-17/h2,7,12,16-17H,3-6,8-11,13-14H2,1H3,(H,23,27)
InChIKeyMNGNHPAKFOBQEP-UHFFFAOYSA-N
XLogP2.83
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide with MolForge

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Related Compounds

2-(4-methylphenoxy)-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 91908114
(4-methoxyphenyl)-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91908109
3-cyclopentyl-1-[4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]propan-1-one
CID 91918900
6,6-difluoro-N-[(4-methyl-2-pyridinyl)methyl]-1,4-oxazepane-4-carboxamide
CID 136547260
2-methyl-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]pyrazole-3-carboxamide
CID 122160536
2-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114325192
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-(naphthalen-1-ylmethyl)piperidine-1-carboxamide
CID 90641714
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 90641715
[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 91908131
oxan-4-yl-[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]methanone
CID 91918950
(2R)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenylmorpholine-4-carboxamide
CID 96562539
[3-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 91918927

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide (CID 138030802) is N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide is Cc1ccnc(CNC(=O)N2CCC(Cc3nc(C4CCOCC4)no3)CC2)c1.
What is the InChIKey of N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
The InChIKey is MNGNHPAKFOBQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-15-2-7-22-18(12-15)14-23-21(27)26-8-3-16(4-9-26)13-19-24-20(25-29-19)17-5-10-28-11-6-17/h2,7,12,16-17H,3-6,8-11,13-14H2,1H3,(H,23,27).
What are the key properties of N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide?
N-[(4-methyl-2-pyridinyl)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 2.83, 5 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)methyl]-4-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 138030802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).