N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

C15H28ClN5O2 — CID 119448539

IUPACN-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCCCc1noc(CCCC(=O)NCCN2CCNCC2)n1.Cl
InChIInChI=1S/C15H27N5O2.ClH/c1-2-4-13-18-15(22-19-13)6-3-5-14(21)17-9-12-20-10-7-16-8-11-20;/h16H,2-12H2,1H3,(H,17,21);1H
InChIKeyHNOJJVVQZDBFBC-UHFFFAOYSA-N
MW345.88 g/mol
LogP0.79
Rot. Bonds9

About N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride

N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (PubChem CID 119448539) has the molecular formula C15H28ClN5O2 and a molecular weight of 345.88 g/mol. Its IUPAC name is N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
PubChem CID119448539
Molecular FormulaC15H28ClN5O2
Molecular Weight345.88 g/mol
Exact Mass345.19
IUPAC NameN-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
SMILESCCCc1noc(CCCC(=O)NCCN2CCNCC2)n1.Cl
InChIInChI=1S/C15H27N5O2.ClH/c1-2-4-13-18-15(22-19-13)6-3-5-14(21)17-9-12-20-10-7-16-8-11-20;/h16H,2-12H2,1H3,(H,17,21);1H
InChIKeyHNOJJVVQZDBFBC-UHFFFAOYSA-N
XLogP0.79
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.88
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(ethylamino)ethyl]-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119508746
N-(3-piperazin-1-ylpropyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 119392356
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119445402
4-(4-methoxyphenyl)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119444966
N,N-diethyl-3-[3-(piperazin-1-ylmethyl)-1,2,4-oxadiazol-5-yl]propanamide;dihydrochloride
CID 155823355
N-(3-amino-2-methylpropyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119995818
5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 65428927
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 94025784
4-(4-ethoxyphenoxy)-N-(2-piperazin-1-ylethyl)butanamide;hydrochloride
CID 119445383
4-(3-propyl-1,2,4-oxadiazol-5-yl)-N-[[2-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]butanamide
CID 55823394
(2S)-2-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoic acid
CID 119238057
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119446462

Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The IUPAC name of N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride (CID 119448539) is N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride.
What is the SMILES notation for N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The canonical SMILES for N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is CCCc1noc(CCCC(=O)NCCN2CCNCC2)n1.Cl.
What is the InChIKey of N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
The InChIKey is HNOJJVVQZDBFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O2.ClH/c1-2-4-13-18-15(22-19-13)6-3-5-14(21)17-9-12-20-10-7-16-8-11-20;/h16H,2-12H2,1H3,(H,17,21);1H.
What are the key properties of N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride?
N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride has a molecular weight of 345.88 g/mol, XLogP of 0.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylethyl)-4-(3-propyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119448539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).