1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one

C19H25N3O3 — CID 99789407

IUPAC1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
SMILESCO[C@H]1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC[C@H]1C
InChIInChI=1S/C19H25N3O3/c1-14-11-12-22(13-16(14)24-2)18(23)10-6-9-17-20-21-19(25-17)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyQLKOMZYQYMRPKH-ZBFHGGJFSA-N
MW343.43 g/mol
LogP2.94
Rot. Bonds6

About 1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one

1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one (PubChem CID 99789407) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one.

Molecular Properties

Compound Name1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
PubChem CID99789407
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
SMILESCO[C@H]1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC[C@H]1C
InChIInChI=1S/C19H25N3O3/c1-14-11-12-22(13-16(14)24-2)18(23)10-6-9-17-20-21-19(25-17)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3/t14-,16+/m1/s1
InChIKeyQLKOMZYQYMRPKH-ZBFHGGJFSA-N
XLogP2.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 55891565
N-butyl-N-methyl-1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoyl]piperidine-4-carboxamide
CID 55950279
ethyl (3R)-3-phenyl-3-[1-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperidin-4-yl]propanoate
CID 51957756
1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 94643532
1-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 71893125
1-(4-acetylpiperazin-1-yl)-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 51218726
1-[4-(6-chloro-2-pyridinyl)piperazin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one
CID 55876605
4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanoic acid
CID 23986643
1-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 95590153
N-[4-(4-methylpiperidin-1-yl)butyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butanamide
CID 47888987
4-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanoyl]piperazine-1-carbaldehyde
CID 110333746
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one?
The IUPAC name of 1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one (CID 99789407) is 1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one.
What is the SMILES notation for 1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one?
The canonical SMILES for 1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one is CO[C@H]1CN(C(=O)CCCc2nnc(-c3ccccc3)o2)CC[C@H]1C.
What is the InChIKey of 1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one?
The InChIKey is QLKOMZYQYMRPKH-ZBFHGGJFSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-14-11-12-22(13-16(14)24-2)18(23)10-6-9-17-20-21-19(25-17)15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3/t14-,16+/m1/s1.
What are the key properties of 1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one?
1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-1-one is sourced from PubChem (CID 99789407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).