1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

C16H29ClN4O — CID 119926686

IUPAC1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCC(C)(C)c1noc(CN2CCC(NCC3CC3)CC2)n1.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-16(2,3)15-18-14(21-19-15)11-20-8-6-13(7-9-20)17-10-12-4-5-12;/h12-13,17H,4-11H2,1-3H3;1H
InChIKeyBHWCVFQNLQTOTN-UHFFFAOYSA-N
MW328.89 g/mol
LogP2.75
Rot. Bonds5

About 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride

1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (PubChem CID 119926686) has the molecular formula C16H29ClN4O and a molecular weight of 328.89 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
PubChem CID119926686
Molecular FormulaC16H29ClN4O
Molecular Weight328.89 g/mol
Exact Mass328.20
IUPAC Name1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
SMILESCC(C)(C)c1noc(CN2CCC(NCC3CC3)CC2)n1.Cl
InChIInChI=1S/C16H28N4O.ClH/c1-16(2,3)15-18-14(21-19-15)11-20-8-6-13(7-9-20)17-10-12-4-5-12;/h12-13,17H,4-11H2,1-3H3;1H
InChIKeyBHWCVFQNLQTOTN-UHFFFAOYSA-N
XLogP2.75
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.89
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride with MolForge

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Related Compounds

2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid
CID 79608202
N-(cyclopropylmethyl)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-4-amine;dihydrochloride
CID 119926784
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride
CID 119926316
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 20785846
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]azetidin-3-amine
CID 65250262
3-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79737485
(3R)-1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-3-amine
CID 102977355
N-(cyclopropylmethyl)-1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-amine;hydrochloride
CID 119926550
1-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-yl]ethanol
CID 112628218
[1-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methanol
CID 106837116
3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 94181815
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479413

Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride (CID 119926686) is 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is CC(C)(C)c1noc(CN2CCC(NCC3CC3)CC2)n1.Cl.
What is the InChIKey of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
The InChIKey is BHWCVFQNLQTOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O.ClH/c1-16(2,3)15-18-14(21-19-15)11-20-8-6-13(7-9-20)17-10-12-4-5-12;/h12-13,17H,4-11H2,1-3H3;1H.
What are the key properties of 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride?
1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride has a molecular weight of 328.89 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine;hydrochloride is sourced from PubChem (CID 119926686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).