N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

C18H24N6O4 — CID 72925930

IUPACN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)NCc3nc(N)n[nH]3)cc2)CC1
InChIInChI=1S/C18H24N6O4/c1-27-11-16(25)24-8-6-14(7-9-24)28-13-4-2-12(3-5-13)17(26)20-10-15-21-18(19)23-22-15/h2-5,14H,6-11H2,1H3,(H,20,26)(H3,19,21,22,23)
InChIKeyNMKZJKBDNWSJFR-UHFFFAOYSA-N
MW388.43 g/mol
LogP0.33
Rot. Bonds7

About N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (PubChem CID 72925930) has the molecular formula C18H24N6O4 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
PubChem CID72925930
Molecular FormulaC18H24N6O4
Molecular Weight388.43 g/mol
Exact Mass388.19
IUPAC NameN-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
SMILESCOCC(=O)N1CCC(Oc2ccc(C(=O)NCc3nc(N)n[nH]3)cc2)CC1
InChIInChI=1S/C18H24N6O4/c1-27-11-16(25)24-8-6-14(7-9-24)28-13-4-2-12(3-5-13)17(26)20-10-15-21-18(19)23-22-15/h2-5,14H,6-11H2,1H3,(H,20,26)(H3,19,21,22,23)
InChIKeyNMKZJKBDNWSJFR-UHFFFAOYSA-N
XLogP0.33
TPSA135.46 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-2-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide
CID 72844684
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-[(4-methylthiadiazol-5-yl)methyl]benzamide
CID 72885997
2-methoxy-1-[4-(4-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70724680
4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(2-phenylethyl)benzamide
CID 26320229
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(3-methoxypropyl)benzamide
CID 42509021
4-(1-acetylpiperidin-4-yl)oxy-N-[2-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-3-methoxybenzamide
CID 72912652
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-N'-methyl-4-phenoxypiperidine-1-carboximidamide
CID 109427085
N-ethyl-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxy-N-(oxolan-2-ylmethyl)benzamide
CID 45180353
methyl 4-[1-(2-aminoacetyl)piperidin-4-yl]oxybenzoate;2-methylpropane
CID 142043170
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-pyrrolidin-3-ylbenzamide
CID 72921247
4-[1-(3-methoxypropanoyl)piperidin-4-yl]oxy-N-(2-pyrazol-1-ylethyl)benzamide
CID 24817383
(3S)-1-ethyl-4-[4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzoyl]-3-methylpiperazin-2-one
CID 25386211

Frequently Asked Questions

What is the IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide (CID 72925930) is N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is COCC(=O)N1CCC(Oc2ccc(C(=O)NCc3nc(N)n[nH]3)cc2)CC1.
What is the InChIKey of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
The InChIKey is NMKZJKBDNWSJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O4/c1-27-11-16(25)24-8-6-14(7-9-24)28-13-4-2-12(3-5-13)17(26)20-10-15-21-18(19)23-22-15/h2-5,14H,6-11H2,1H3,(H,20,26)(H3,19,21,22,23).
What are the key properties of N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide?
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide has a molecular weight of 388.43 g/mol, XLogP of 0.33, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-4-[1-(2-methoxyacetyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 72925930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).