[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

C19H24N4O2 — CID 125147195

IUPAC[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESC[C@@H](N)[C@@H]1CCCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1
InChIInChI=1S/C19H24N4O2/c1-12(20)16-6-3-9-23(11-16)19(24)15-5-2-4-14(10-15)17-21-18(25-22-17)13-7-8-13/h2,4-5,10,12-13,16H,3,6-9,11,20H2,1H3/t12-,16-/m1/s1
InChIKeyVPMSLRGGEKNZJR-MLGOLLRUSA-N
MW340.43 g/mol
LogP2.81
Rot. Bonds4

About [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone

[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (PubChem CID 125147195) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
PubChem CID125147195
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone
SMILESC[C@@H](N)[C@@H]1CCCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1
InChIInChI=1S/C19H24N4O2/c1-12(20)16-6-3-9-23(11-16)19(24)15-5-2-4-14(10-15)17-21-18(25-22-17)13-7-8-13/h2,4-5,10,12-13,16H,3,6-9,11,20H2,1H3/t12-,16-/m1/s1
InChIKeyVPMSLRGGEKNZJR-MLGOLLRUSA-N
XLogP2.81
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]piperidine-3-carboxylic acid
CID 124576703
[3-(1-aminoethyl)piperidin-1-yl]-[3-(4-methyl-1,3-thiazol-2-yl)phenyl]methanone
CID 119594242
(3-methoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456109
(3-chlorophenyl)-[3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3912451
3-[3-(1-aminoethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119595557
2-[4-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzoyl]morpholin-2-yl]acetic acid
CID 126793733
N-[3-[5-[(3S)-1-benzoylpiperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897609
N-[3-[5-[(3S)-1-(3-methylbenzoyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]propanamide
CID 92897567
(3-fluorophenyl)-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 3226144
(3,5-dimethoxyphenyl)-[(3R)-3-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
CID 1456031
[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4640264
[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 119594663

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The IUPAC name of [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone (CID 125147195) is [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The canonical SMILES for [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is C[C@@H](N)[C@@H]1CCCN(C(=O)c2cccc(-c3noc(C4CC4)n3)c2)C1.
What is the InChIKey of [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
The InChIKey is VPMSLRGGEKNZJR-MLGOLLRUSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-12(20)16-6-3-9-23(11-16)19(24)15-5-2-4-14(10-15)17-21-18(25-22-17)13-7-8-13/h2,4-5,10,12-13,16H,3,6-9,11,20H2,1H3/t12-,16-/m1/s1.
What are the key properties of [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone?
[(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone has a molecular weight of 340.43 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]methanone is sourced from PubChem (CID 125147195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).