4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride

C19H26ClN5O2 — CID 120853046

IUPAC4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(C3CCN(C(=O)Nc4ccccc4)CC3)n2)CCCC1
InChIInChI=1S/C19H25N5O2.ClH/c20-19(10-4-5-11-19)17-22-16(26-23-17)14-8-12-24(13-9-14)18(25)21-15-6-2-1-3-7-15;/h1-3,6-7,14H,4-5,8-13,20H2,(H,21,25);1H
InChIKeyDMHLVAUYNDTUJK-UHFFFAOYSA-N
MW391.90 g/mol
LogP3.63
Rot. Bonds3

About 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride

4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride (PubChem CID 120853046) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride
PubChem CID120853046
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC Name4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride
SMILESCl.NC1(c2noc(C3CCN(C(=O)Nc4ccccc4)CC3)n2)CCCC1
InChIInChI=1S/C19H25N5O2.ClH/c20-19(10-4-5-11-19)17-22-16(26-23-17)14-8-12-24(13-9-14)18(25)21-15-6-2-1-3-7-15;/h1-3,6-7,14H,4-5,8-13,20H2,(H,21,25);1H
InChIKeyDMHLVAUYNDTUJK-UHFFFAOYSA-N
XLogP3.63
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-phenylmethanone
CID 120852061
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-(3-methylphenyl)piperidine-1-carboxamide
CID 120862894
1-[4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120853388
[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(furan-3-yl)methanone;hydrochloride
CID 120861983
1-[5-(4-phenylcyclohexyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120860751
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120859549
N-phenyl-4-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 167839568
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide
CID 120958246
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
3-(1-aminocyclobutyl)-N-phenyl-1,2,4-oxadiazole-5-carboxamide;hydrochloride
CID 120862919
1-[5-(1-benzylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852442

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride?
The IUPAC name of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride (CID 120853046) is 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride is Cl.NC1(c2noc(C3CCN(C(=O)Nc4ccccc4)CC3)n2)CCCC1.
What is the InChIKey of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride?
The InChIKey is DMHLVAUYNDTUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.ClH/c20-19(10-4-5-11-19)17-22-16(26-23-17)14-8-12-24(13-9-14)18(25)21-15-6-2-1-3-7-15;/h1-3,6-7,14H,4-5,8-13,20H2,(H,21,25);1H.
What are the key properties of 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride?
4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-phenylpiperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120853046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).