1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride

C20H28ClN5O2 — CID 120752110

IUPAC1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)no1
InChIInChI=1S/C20H27N5O2.ClH/c21-12-19-22-18(23-27-19)14-24-10-8-16(9-11-24)20(26)25(17-6-7-17)13-15-4-2-1-3-5-15;/h1-5,16-17H,6-14,21H2;1H
InChIKeyYMKGKCZIEBLBKL-UHFFFAOYSA-N
MW405.93 g/mol
LogP2.35
Rot. Bonds7

About 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride

1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120752110) has the molecular formula C20H28ClN5O2 and a molecular weight of 405.93 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
PubChem CID120752110
Molecular FormulaC20H28ClN5O2
Molecular Weight405.93 g/mol
Exact Mass405.19
IUPAC Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
SMILESCl.NCc1nc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)no1
InChIInChI=1S/C20H27N5O2.ClH/c21-12-19-22-18(23-27-19)14-24-10-8-16(9-11-24)20(26)25(17-6-7-17)13-15-4-2-1-3-5-15;/h1-5,16-17H,6-14,21H2;1H
InChIKeyYMKGKCZIEBLBKL-UHFFFAOYSA-N
XLogP2.35
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.93
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride (CID 120752110) is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride is Cl.NCc1nc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)no1.
What is the InChIKey of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is YMKGKCZIEBLBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2.ClH/c21-12-19-22-18(23-27-19)14-24-10-8-16(9-11-24)20(26)25(17-6-7-17)13-15-4-2-1-3-5-15;/h1-5,16-17H,6-14,21H2;1H.
What are the key properties of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride?
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 405.93 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120752110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).