1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride

C17H29ClN4O2 — CID 119623261

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
SMILESCC(C)c1noc(CCC(=O)N2CCC(NCC3CC3)CC2)n1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-12(2)17-19-15(23-20-17)5-6-16(22)21-9-7-14(8-10-21)18-11-13-3-4-13;/h12-14,18H,3-11H2,1-2H3;1H
InChIKeyCOTIIDUFBYVKIV-UHFFFAOYSA-N
MW356.90 g/mol
LogP2.54
Rot. Bonds7

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride (PubChem CID 119623261) has the molecular formula C17H29ClN4O2 and a molecular weight of 356.90 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
PubChem CID119623261
Molecular FormulaC17H29ClN4O2
Molecular Weight356.90 g/mol
Exact Mass356.20
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
SMILESCC(C)c1noc(CCC(=O)N2CCC(NCC3CC3)CC2)n1.Cl
InChIInChI=1S/C17H28N4O2.ClH/c1-12(2)17-19-15(23-20-17)5-6-16(22)21-9-7-14(8-10-21)18-11-13-3-4-13;/h12-14,18H,3-11H2,1-2H3;1H
InChIKeyCOTIIDUFBYVKIV-UHFFFAOYSA-N
XLogP2.54
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.90
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride
CID 119622767
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-one;hydrochloride
CID 119623857
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-one
CID 119623858
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119622312
1-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-amine
CID 86786883
1-[(3aS,6aS)-3,3-dimethyl-2,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 136587944
3-[(2S)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 124681947
3-[(2R)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]piperidin-2-yl]propanoic acid
CID 124681946
1-(4-phenylmethoxypiperidin-1-yl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-one
CID 55712375
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propan-1-one
CID 119624181
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 71991000
1-[3-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 51079863

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride (CID 119623261) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride is CC(C)c1noc(CCC(=O)N2CCC(NCC3CC3)CC2)n1.Cl.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride?
The InChIKey is COTIIDUFBYVKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2.ClH/c1-12(2)17-19-15(23-20-17)5-6-16(22)21-9-7-14(8-10-21)18-11-13-3-4-13;/h12-14,18H,3-11H2,1-2H3;1H.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride has a molecular weight of 356.90 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119623261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).