3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide

C19H24N4O2 — CID 122130973

IUPAC3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide
SMILESCc1nc(CC2CCCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)no1
InChIInChI=1S/C19H24N4O2/c1-13-20-18(22-25-13)10-14-6-5-9-23(12-14)19(24)21-17-11-16(17)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-12H2,1H3,(H,21,24)/t14?,16-,17+/m0/s1
InChIKeyKFRIVIJGIKXVFA-MWSTZMHHSA-N
MW340.43 g/mol
LogP2.90
Rot. Bonds4

About 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide (PubChem CID 122130973) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide
PubChem CID122130973
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide
SMILESCc1nc(CC2CCCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)no1
InChIInChI=1S/C19H24N4O2/c1-13-20-18(22-25-13)10-14-6-5-9-23(12-14)19(24)21-17-11-16(17)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-12H2,1H3,(H,21,24)/t14?,16-,17+/m0/s1
InChIKeyKFRIVIJGIKXVFA-MWSTZMHHSA-N
XLogP2.90
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(2S)-2-hydroxy-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 124737577
2-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]-2-phenylpropan-1-one;hydrochloride
CID 120591759
(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-prop-2-enylpiperidine-1-carboxamide
CID 97074173
(3S)-N-(2-methoxy-6-methylphenyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 124628067
(3R)-N-(5-fluoro-2-pyridinyl)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 99597501
(3R)-3-(1H-benzimidazol-2-ylmethyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidine-1-carboxamide
CID 125444272
N-[(1R,2S)-2-(3-fluorophenyl)cyclopropyl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,4-diazepane-1-carboxamide
CID 126785554
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-(1-pyridin-4-ylpropyl)piperidine-1-carboxamide
CID 136529525
2-methyl-3-(methylamino)-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]propan-1-one;hydrochloride
CID 119775640
2-(1-aminocyclobutyl)-1-[(3R)-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]ethanone
CID 124697978
4-amino-1-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-1-yl]pentan-1-one
CID 120562335
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[3-(5-methyltetrazol-1-yl)phenyl]piperidine-1-carboxamide
CID 136523571

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide?
The IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide (CID 122130973) is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide?
The canonical SMILES for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide is Cc1nc(CC2CCCN(C(=O)N[C@@H]3C[C@H]3c3ccccc3)C2)no1.
What is the InChIKey of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide?
The InChIKey is KFRIVIJGIKXVFA-MWSTZMHHSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-20-18(22-25-13)10-14-6-5-9-23(12-14)19(24)21-17-11-16(17)15-7-3-2-4-8-15/h2-4,7-8,14,16-17H,5-6,9-12H2,1H3,(H,21,24)/t14?,16-,17+/m0/s1.
What are the key properties of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide?
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]piperidine-1-carboxamide is sourced from PubChem (CID 122130973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).