(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

C17H29N5O2 — CID 94455628

IUPAC(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)[C@H](C)N2CCC[C@H](c3nc(C)no3)C2)CC1
InChIInChI=1S/C17H29N5O2/c1-4-20-8-10-21(11-9-20)17(23)13(2)22-7-5-6-15(12-22)16-18-14(3)19-24-16/h13,15H,4-12H2,1-3H3/t13-,15-/m0/s1
InChIKeyPTTHXCFVDTVUIC-ZFWWWQNUSA-N
MW335.45 g/mol
LogP1.11
Rot. Bonds4

About (2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 94455628) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is (2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
PubChem CID94455628
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
SMILESCCN1CCN(C(=O)[C@H](C)N2CCC[C@H](c3nc(C)no3)C2)CC1
InChIInChI=1S/C17H29N5O2/c1-4-20-8-10-21(11-9-20)17(23)13(2)22-7-5-6-15(12-22)16-18-14(3)19-24-16/h13,15H,4-12H2,1-3H3/t13-,15-/m0/s1
InChIKeyPTTHXCFVDTVUIC-ZFWWWQNUSA-N
XLogP1.11
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119112349
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpiperidine-1-carboxamide
CID 94178848
(2S)-2-amino-3-methyl-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119112368
(2R)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-[(1R)-1-phenylethyl]propanamide
CID 124859531
2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-N-(1-phenylethyl)propanamide
CID 71939627
3-methyl-5-[(3S)-1-[(1S)-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 94571823
N-[(2R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopropan-2-yl]methanesulfonamide
CID 97314416
N-[(3,4-dimethoxyphenyl)methyl]-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propanamide
CID 60565475
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119399723
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 95275489
methyl N-[(2R)-4-methyl-1-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-1-oxopentan-2-yl]carbamate
CID 95153308
3-cyclopropyl-5-[(1R)-1-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethyl]-1,2,4-oxadiazole
CID 98763222

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The IUPAC name of (2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 94455628) is (2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for (2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The canonical SMILES for (2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is CCN1CCN(C(=O)[C@H](C)N2CCC[C@H](c3nc(C)no3)C2)CC1.
What is the InChIKey of (2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
The InChIKey is PTTHXCFVDTVUIC-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-4-20-8-10-21(11-9-20)17(23)13(2)22-7-5-6-15(12-22)16-18-14(3)19-24-16/h13,15H,4-12H2,1-3H3/t13-,15-/m0/s1.
What are the key properties of (2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?
(2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 335.45 g/mol, XLogP of 1.11, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(4-ethylpiperazin-1-yl)-2-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 94455628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).