[4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone

C22H29N5O2 — CID 69187418

IUPAC[4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone
SMILESCc1noc(-c2ccc(N3CCC(C(=O)N4CCN(CC5CC5)CC4)C3)cc2)n1
InChIInChI=1S/C22H29N5O2/c1-16-23-21(29-24-16)18-4-6-20(7-5-18)27-9-8-19(15-27)22(28)26-12-10-25(11-13-26)14-17-2-3-17/h4-7,17,19H,2-3,8-15H2,1H3
InChIKeyLXKMZMNNAKJQFD-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.43
Rot. Bonds5

About [4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone

[4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone (PubChem CID 69187418) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is [4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone
PubChem CID69187418
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name[4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone
SMILESCc1noc(-c2ccc(N3CCC(C(=O)N4CCN(CC5CC5)CC4)C3)cc2)n1
InChIInChI=1S/C22H29N5O2/c1-16-23-21(29-24-16)18-4-6-20(7-5-18)27-9-8-19(15-27)22(28)26-12-10-25(11-13-26)14-17-2-3-17/h4-7,17,19H,2-3,8-15H2,1H3
InChIKeyLXKMZMNNAKJQFD-UHFFFAOYSA-N
XLogP2.43
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]-[(3S)-3-methyl-4-propan-2-ylpiperazin-1-yl]methanone;hydrochloride
CID 69136130
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]piperidin-3-yl]-morpholin-4-ylmethanone
CID 134048335
[(3S)-1-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 57463709
[1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]pyrrolidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 69185358
(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carboxylic acid
CID 94074874
1-[1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidine-3-carbonyl]-4-piperidin-1-ylpiperidine-4-carboxamide
CID 71794394
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-amine
CID 56686574
[1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 75374153
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]piperidin-4-ol
CID 56769826
[1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 133481699
cyclobutyl-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazin-1-yl]methanone
CID 53033521
[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone
CID 39950040

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone?
The IUPAC name of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone (CID 69187418) is [4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone.
What is the SMILES notation for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone?
The canonical SMILES for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone is Cc1noc(-c2ccc(N3CCC(C(=O)N4CCN(CC5CC5)CC4)C3)cc2)n1.
What is the InChIKey of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone?
The InChIKey is LXKMZMNNAKJQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-16-23-21(29-24-16)18-4-6-20(7-5-18)27-9-8-19(15-27)22(28)26-12-10-25(11-13-26)14-17-2-3-17/h4-7,17,19H,2-3,8-15H2,1H3.
What are the key properties of [4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone?
[4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone has a molecular weight of 395.51 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethyl)piperazin-1-yl]-[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyrrolidin-3-yl]methanone is sourced from PubChem (CID 69187418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).