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

C17H30N4O2 — CID 94378643

IUPAC(3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2nc(C(C)C)no2)C1
InChIInChI=1S/C17H30N4O2/c1-5-7-13(4)18-17(22)14-8-6-9-21(10-14)11-15-19-16(12(2)3)20-23-15/h12-14H,5-11H2,1-4H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyZKGDZIUVHNTFFP-KBPBESRZSA-N
MW322.45 g/mol
LogP2.71
Rot. Bonds7

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

(3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (PubChem CID 94378643) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
PubChem CID94378643
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
SMILESCCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2nc(C(C)C)no2)C1
InChIInChI=1S/C17H30N4O2/c1-5-7-13(4)18-17(22)14-8-6-9-21(10-14)11-15-19-16(12(2)3)20-23-15/h12-14H,5-11H2,1-4H3,(H,18,22)/t13-,14-/m0/s1
InChIKeyZKGDZIUVHNTFFP-KBPBESRZSA-N
XLogP2.71
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

N-butan-2-yl-1-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43929446
(3S)-N-cyclopropyl-1-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]piperidine-3-carboxamide
CID 95503021
N-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 163357665
N-butan-2-yl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43931140
N-methyl-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 24649063
2-[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728362
2-methyl-N-[[1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-yl]methyl]propan-1-amine
CID 63847274
(3R)-1-[(4-chlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 94008875
[(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]methanol
CID 129367833
1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-N-pentan-2-ylpiperidine-3-carboxamide
CID 127264806
N-propan-2-yl-1-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide
CID 43934901
(3R)-1-[(2,6-dichlorophenyl)methyl]-N-[(2R)-pentan-2-yl]piperidine-3-carboxamide
CID 93492247

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide (CID 94378643) is (3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is CCC[C@H](C)NC(=O)[C@H]1CCCN(Cc2nc(C(C)C)no2)C1.
What is the InChIKey of (3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
The InChIKey is ZKGDZIUVHNTFFP-KBPBESRZSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-7-13(4)18-17(22)14-8-6-9-21(10-14)11-15-19-16(12(2)3)20-23-15/h12-14H,5-11H2,1-4H3,(H,18,22)/t13-,14-/m0/s1.
What are the key properties of (3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide?
(3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide has a molecular weight of 322.45 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2S)-pentan-2-yl]-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 94378643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).