N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride

C21H39Cl2N5O2 — CID 119864639

IUPACN-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCCN(CC)Cc1nc(C2(NC(=O)CC(C)C3CCNCC3)CCCC2)no1.Cl.Cl
InChIInChI=1S/C21H37N5O2.2ClH/c1-4-26(5-2)15-19-23-20(25-28-19)21(10-6-7-11-21)24-18(27)14-16(3)17-8-12-22-13-9-17;;/h16-17,22H,4-15H2,1-3H3,(H,24,27);2*1H
InChIKeyJXVPZTSNJINOQR-UHFFFAOYSA-N
MW464.48 g/mol
LogP3.67
Rot. Bonds9

About N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119864639) has the molecular formula C21H39Cl2N5O2 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119864639
Molecular FormulaC21H39Cl2N5O2
Molecular Weight464.48 g/mol
Exact Mass463.25
IUPAC NameN-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCCN(CC)Cc1nc(C2(NC(=O)CC(C)C3CCNCC3)CCCC2)no1.Cl.Cl
InChIInChI=1S/C21H37N5O2.2ClH/c1-4-26(5-2)15-19-23-20(25-28-19)21(10-6-7-11-21)24-18(27)14-16(3)17-8-12-22-13-9-17;;/h16-17,22H,4-15H2,1-3H3,(H,24,27);2*1H
InChIKeyJXVPZTSNJINOQR-UHFFFAOYSA-N
XLogP3.67
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride with MolForge

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Related Compounds

N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3,3-diphenylpropanamide
CID 60587499
3-cyclohexyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]butanamide
CID 139001034
2-amino-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]pentanamide
CID 119864624
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119860735
3-(3-chlorophenoxy)-N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]propanamide
CID 60587411
N-[1-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]cyclopentyl]-2-[(1S,3R)-3-methylcyclohexyl]acetamide
CID 97211544
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-3-ylpropanamide;hydrochloride
CID 119427167
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 119806424
N-[1-(3-fluorophenyl)cyclopropyl]-3-piperidin-4-ylbutanamide
CID 119799474
N-[(2-methyloxolan-2-yl)methyl]-3-piperidin-4-ylbutanamide
CID 119782244
N-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119820386
N-cyclobutyl-3-piperidin-4-ylbutanamide;hydrochloride
CID 119726928

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119864639) is N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride is CCN(CC)Cc1nc(C2(NC(=O)CC(C)C3CCNCC3)CCCC2)no1.Cl.Cl.
What is the InChIKey of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is JXVPZTSNJINOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N5O2.2ClH/c1-4-26(5-2)15-19-23-20(25-28-19)21(10-6-7-11-21)24-18(27)14-16(3)17-8-12-22-13-9-17;;/h16-17,22H,4-15H2,1-3H3,(H,24,27);2*1H.
What are the key properties of N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 464.48 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119864639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).