N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride

C17H33Cl2N5O2 — CID 119860735

IUPACN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC(C)(C)c1noc(CN(C)C)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H31N5O2.2ClH/c1-12(13-6-8-18-9-7-13)10-14(23)20-17(2,3)16-19-15(24-21-16)11-22(4)5;;/h12-13,18H,6-11H2,1-5H3,(H,20,23);2*1H
InChIKeyNRGBLOUKOUKCSU-UHFFFAOYSA-N
MW410.39 g/mol
LogP2.35
Rot. Bonds7

About N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride

N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride (PubChem CID 119860735) has the molecular formula C17H33Cl2N5O2 and a molecular weight of 410.39 g/mol. Its IUPAC name is N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
PubChem CID119860735
Molecular FormulaC17H33Cl2N5O2
Molecular Weight410.39 g/mol
Exact Mass409.20
IUPAC NameN-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride
SMILESCC(CC(=O)NC(C)(C)c1noc(CN(C)C)n1)C1CCNCC1.Cl.Cl
InChIInChI=1S/C17H31N5O2.2ClH/c1-12(13-6-8-18-9-7-13)10-14(23)20-17(2,3)16-19-15(24-21-16)11-22(4)5;;/h12-13,18H,6-11H2,1-5H3,(H,20,23);2*1H
InChIKeyNRGBLOUKOUKCSU-UHFFFAOYSA-N
XLogP2.35
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpentan-2-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119763294
N-[2-(4-ethylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119808542
N-[1-[5-(diethylaminomethyl)-1,2,4-oxadiazol-3-yl]cyclopentyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119864639
3-piperidin-4-yl-N-[2-(1,3-thiazol-2-yl)propan-2-yl]butanamide
CID 119858708
N-[2-(3-methylphenyl)propan-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119795645
3-amino-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-methyl-3-phenylpropanamide
CID 119860728
N-(1-methoxy-2-methylpropan-2-yl)-3-piperidin-4-ylbutanamide
CID 119760987
(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 95162989
N-[4-[[2-(dimethylamino)acetyl]amino]phenyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119885324
N-[2-[(dimethylamino)methyl]-4-methylphenyl]-3-piperidin-4-ylbutanamide
CID 119887755
(1S)-N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3,4-dihydro-1H-isochromene-1-carboxamide
CID 124594378
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-2-(3-methylphenoxy)propanamide
CID 86857354

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The IUPAC name of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride (CID 119860735) is N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride.
What is the SMILES notation for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The canonical SMILES for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride is CC(CC(=O)NC(C)(C)c1noc(CN(C)C)n1)C1CCNCC1.Cl.Cl.
What is the InChIKey of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
The InChIKey is NRGBLOUKOUKCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2.2ClH/c1-12(13-6-8-18-9-7-13)10-14(23)20-17(2,3)16-19-15(24-21-16)11-22(4)5;;/h12-13,18H,6-11H2,1-5H3,(H,20,23);2*1H.
What are the key properties of N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride?
N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride has a molecular weight of 410.39 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]-3-piperidin-4-ylbutanamide;dihydrochloride is sourced from PubChem (CID 119860735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).