N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

C18H23N5O3 — CID 56749259

IUPACN-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)CN)CC1
InChIInChI=1S/C18H23N5O3/c1-26-15-5-3-2-4-14(15)18(25)21-16-6-9-20-23(16)13-7-10-22(11-8-13)17(24)12-19/h2-6,9,13H,7-8,10-12,19H2,1H3,(H,21,25)
InChIKeyHAZIQMIRXAAKMF-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.27
Rot. Bonds5

About N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide

N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (PubChem CID 56749259) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
PubChem CID56749259
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)CN)CC1
InChIInChI=1S/C18H23N5O3/c1-26-15-5-3-2-4-14(15)18(25)21-16-6-9-20-23(16)13-7-10-22(11-8-13)17(24)12-19/h2-6,9,13H,7-8,10-12,19H2,1H3,(H,21,25)
InChIKeyHAZIQMIRXAAKMF-UHFFFAOYSA-N
XLogP1.27
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide (CID 56749259) is N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)CN)CC1.
What is the InChIKey of N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
The InChIKey is HAZIQMIRXAAKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-26-15-5-3-2-4-14(15)18(25)21-16-6-9-20-23(16)13-7-10-22(11-8-13)17(24)12-19/h2-6,9,13H,7-8,10-12,19H2,1H3,(H,21,25).
What are the key properties of N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide?
N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide has a molecular weight of 357.41 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(2-aminoacetyl)piperidin-4-yl]pyrazol-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 56749259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).