N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide

C18H23N5O2 — CID 51078940

IUPACN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H23N5O2/c1-19-17(24)13-22-10-7-14(8-11-22)20-18(25)16-9-12-23(21-16)15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,19,24)(H,20,25)
InChIKeyYLPKPYDGKLBOFF-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.81
Rot. Bonds5

About N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide

N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide (PubChem CID 51078940) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide
PubChem CID51078940
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C18H23N5O2/c1-19-17(24)13-22-10-7-14(8-11-22)20-18(25)16-9-12-23(21-16)15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,19,24)(H,20,25)
InChIKeyYLPKPYDGKLBOFF-UHFFFAOYSA-N
XLogP0.81
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 32526900
N-(1-cyclopropylpyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 51100168
N-(1-cyanopyrrolidin-3-yl)-1-phenylpyrazole-3-carboxamide
CID 134363588
6-fluoro-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyridine-2-carboxamide
CID 115497212
1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119429116
N-[2-(cycloheptylamino)ethyl]-1-phenylpyrazole-3-carboxamide
CID 119621404
1-(4-fluorophenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrazole-3-carboxamide
CID 136578301
2-[4-(benzylamino)piperidin-1-yl]-N-methylacetamide
CID 38056640
5-(furan-2-yl)-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1H-pyrazole-3-carboxamide
CID 167823705
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
N-[1-(2-amino-2-sulfanylideneethyl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 103118001
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]imidazo[2,1-b][1,3]thiazole-2-carboxamide
CID 154737089

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide (CID 51078940) is N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide is CNC(=O)CN1CCC(NC(=O)c2ccn(-c3ccccc3)n2)CC1.
What is the InChIKey of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is YLPKPYDGKLBOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-19-17(24)13-22-10-7-14(8-11-22)20-18(25)16-9-12-23(21-16)15-5-3-2-4-6-15/h2-6,9,12,14H,7-8,10-11,13H2,1H3,(H,19,24)(H,20,25).
What are the key properties of N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide?
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 51078940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).