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

C17H30ClN5O2 — CID 120853614

IUPAC3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(c2nc(C3(N)CCCC3)no2)C1.Cl
InChIInChI=1S/C17H29N5O2.ClH/c1-12(2)10-19-16(23)22-9-5-6-13(11-22)14-20-15(21-24-14)17(18)7-3-4-8-17;/h12-13H,3-11,18H2,1-2H3,(H,19,23);1H
InChIKeyFNJZXISNIAICLV-UHFFFAOYSA-N
MW371.91 g/mol
LogP2.76
Rot. Bonds4

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

3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride (PubChem CID 120853614) has the molecular formula C17H30ClN5O2 and a molecular weight of 371.91 g/mol. Its IUPAC name is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
PubChem CID120853614
Molecular FormulaC17H30ClN5O2
Molecular Weight371.91 g/mol
Exact Mass371.21
IUPAC Name3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride
SMILESCC(C)CNC(=O)N1CCCC(c2nc(C3(N)CCCC3)no2)C1.Cl
InChIInChI=1S/C17H29N5O2.ClH/c1-12(2)10-19-16(23)22-9-5-6-13(11-22)14-20-15(21-24-14)17(18)7-3-4-8-17;/h12-13H,3-11,18H2,1-2H3,(H,19,23);1H
InChIKeyFNJZXISNIAICLV-UHFFFAOYSA-N
XLogP2.76
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.91
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride with MolForge

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Related Compounds

1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylbutan-1-one;hydrochloride
CID 120854425
1-[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one
CID 120856198
[3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methylphenyl)methanone
CID 120856946
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
1-[4-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one;hydrochloride
CID 120859549
1-[3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 120862036
1-[5-(1-benzylpiperidin-3-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852442
3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
CID 91918458
(3S)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887439
(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[[1-[(R)-methylsulfinyl]cyclobutyl]methyl]piperidine-1-carboxamide
CID 124887441
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The IUPAC name of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride (CID 120853614) is 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The canonical SMILES for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride is CC(C)CNC(=O)N1CCCC(c2nc(C3(N)CCCC3)no2)C1.Cl.
What is the InChIKey of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
The InChIKey is FNJZXISNIAICLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2.ClH/c1-12(2)10-19-16(23)22-9-5-6-13(11-22)14-20-15(21-24-14)17(18)7-3-4-8-17;/h12-13H,3-11,18H2,1-2H3,(H,19,23);1H.
What are the key properties of 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride?
3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride has a molecular weight of 371.91 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-aminocyclopentyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide;hydrochloride is sourced from PubChem (CID 120853614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).