[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride

C22H32ClN5O2 — CID 44529495

IUPAC[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1noc(-c2ccc(N3CCC(C(=O)N4CCN(C(C)C)CC4)CC3)cc2)n1.Cl
InChIInChI=1S/C22H31N5O2.ClH/c1-16(2)25-12-14-27(15-13-25)22(28)19-8-10-26(11-9-19)20-6-4-18(5-7-20)21-23-17(3)24-29-21;/h4-7,16,19H,8-15H2,1-3H3;1H
InChIKeyCZXFGCLEODAKQM-UHFFFAOYSA-N
MW433.98 g/mol
LogP3.24
Rot. Bonds4

About [1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride

[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride (PubChem CID 44529495) has the molecular formula C22H32ClN5O2 and a molecular weight of 433.98 g/mol. Its IUPAC name is [1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
PubChem CID44529495
Molecular FormulaC22H32ClN5O2
Molecular Weight433.98 g/mol
Exact Mass433.22
IUPAC Name[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride
SMILESCc1noc(-c2ccc(N3CCC(C(=O)N4CCN(C(C)C)CC4)CC3)cc2)n1.Cl
InChIInChI=1S/C22H31N5O2.ClH/c1-16(2)25-12-14-27(15-13-25)22(28)19-8-10-26(11-9-19)20-6-4-18(5-7-20)21-23-17(3)24-29-21;/h4-7,16,19H,8-15H2,1-3H3;1H
InChIKeyCZXFGCLEODAKQM-UHFFFAOYSA-N
XLogP3.24
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.98
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
The IUPAC name of [1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride (CID 44529495) is [1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride.
What is the SMILES notation for [1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
The canonical SMILES for [1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride is Cc1noc(-c2ccc(N3CCC(C(=O)N4CCN(C(C)C)CC4)CC3)cc2)n1.Cl.
What is the InChIKey of [1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
The InChIKey is CZXFGCLEODAKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O2.ClH/c1-16(2)25-12-14-27(15-13-25)22(28)19-8-10-26(11-9-19)20-6-4-18(5-7-20)21-23-17(3)24-29-21;/h4-7,16,19H,8-15H2,1-3H3;1H.
What are the key properties of [1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride?
[1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride has a molecular weight of 433.98 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]piperidin-4-yl]-(4-propan-2-ylpiperazin-1-yl)methanone;hydrochloride is sourced from PubChem (CID 44529495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).