[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone

C19H29N5O3 — CID 136578700

IUPAC[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
SMILESCc1noc(C2CCN(C(=O)C3CCN(C(=O)N4CCCC4)CC3)CC2)n1
InChIInChI=1S/C19H29N5O3/c1-14-20-17(27-21-14)15-4-10-22(11-5-15)18(25)16-6-12-24(13-7-16)19(26)23-8-2-3-9-23/h15-16H,2-13H2,1H3
InChIKeyBCFYNUQDQIUPIX-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.01
Rot. Bonds2

About [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone (PubChem CID 136578700) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
PubChem CID136578700
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone
SMILESCc1noc(C2CCN(C(=O)C3CCN(C(=O)N4CCCC4)CC3)CC2)n1
InChIInChI=1S/C19H29N5O3/c1-14-20-17(27-21-14)15-4-10-22(11-5-15)18(25)16-6-12-24(13-7-16)19(26)23-8-2-3-9-23/h15-16H,2-13H2,1H3
InChIKeyBCFYNUQDQIUPIX-UHFFFAOYSA-N
XLogP2.01
TPSA82.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]piperidin-2-one
CID 136578688
(2-cyclopropylcyclopropyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 71923599
1,4-dioxan-2-yl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 47369855
(1-aminocyclopentyl)-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 119301188
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 155982970
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 55886208
(4S)-4-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 52693151
[(1S)-cyclohex-3-en-1-yl]-[(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 94208001
5-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
CID 154834014
(2S)-2-amino-3,3-dimethyl-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one
CID 119744954
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 47296940
3-methyl-5-(1-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 21476662

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone (CID 136578700) is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone is Cc1noc(C2CCN(C(=O)C3CCN(C(=O)N4CCCC4)CC3)CC2)n1.
What is the InChIKey of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
The InChIKey is BCFYNUQDQIUPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-14-20-17(27-21-14)15-4-10-22(11-5-15)18(25)16-6-12-24(13-7-16)19(26)23-8-2-3-9-23/h15-16H,2-13H2,1H3.
What are the key properties of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone?
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone has a molecular weight of 375.47 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-[1-(pyrrolidine-1-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 136578700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).