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

C20H27N5O2 — CID 120752111

IUPAC1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide
SMILESNCc1nc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)no1
InChIInChI=1S/C20H27N5O2/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
InChIKeyUCEMMDYMQHTFRM-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.93
Rot. Bonds7

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

1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide (PubChem CID 120752111) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide
PubChem CID120752111
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide
SMILESNCc1nc(CN2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)no1
InChIInChI=1S/C20H27N5O2/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
InChIKeyUCEMMDYMQHTFRM-UHFFFAOYSA-N
XLogP1.93
TPSA88.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide;hydrochloride
CID 120752110
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-phenylpiperidine-4-carboxamide
CID 120750699
2-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-N-benzyl-N-methylethanamine;dihydrochloride
CID 120752845
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(4-fluorophenyl)piperidine-4-carboxamide
CID 120751655
[3-[(4-phenylpiperazin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752482
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-(2,6-dichlorophenyl)methanone
CID 120751325
[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 120750643
[3-[(4-naphthalen-1-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 120751532
[3-[(4-cyclopentyloxypiperidin-1-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751593
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-benzyl-N,2-dimethylpiperidin-4-amine
CID 120752901
1-[4-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one;hydrochloride
CID 120751079
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-[(3-fluoro-4-methylphenyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120750983

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?
The IUPAC name of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide (CID 120752111) is 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide?
The canonical SMILES for 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide is 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?
The InChIKey is UCEMMDYMQHTFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/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.
What are the key properties of 1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide?
1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-N-cyclopropylpiperidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.93, 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 is sourced from PubChem (CID 120752111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).