4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide

C19H23N5O3 — CID 125436273

IUPAC4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
SMILESCNC(=O)Cn1cc(-c2ccc(C(=O)N[C@H]3CCC(=O)N(C)C3)cc2)cn1
InChIInChI=1S/C19H23N5O3/c1-20-17(25)12-24-10-15(9-21-24)13-3-5-14(6-4-13)19(27)22-16-7-8-18(26)23(2)11-16/h3-6,9-10,16H,7-8,11-12H2,1-2H3,(H,20,25)(H,22,27)/t16-/m0/s1
InChIKeyLPYWGYVXOGURII-INIZCTEOSA-N
MW369.43 g/mol
LogP0.65
Rot. Bonds5

About 4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide

4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide (PubChem CID 125436273) has the molecular formula C19H23N5O3 and a molecular weight of 369.43 g/mol. Its IUPAC name is 4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
PubChem CID125436273
Molecular FormulaC19H23N5O3
Molecular Weight369.43 g/mol
Exact Mass369.18
IUPAC Name4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide
SMILESCNC(=O)Cn1cc(-c2ccc(C(=O)N[C@H]3CCC(=O)N(C)C3)cc2)cn1
InChIInChI=1S/C19H23N5O3/c1-20-17(25)12-24-10-15(9-21-24)13-3-5-14(6-4-13)19(27)22-16-7-8-18(26)23(2)11-16/h3-6,9-10,16H,7-8,11-12H2,1-2H3,(H,20,25)(H,22,27)/t16-/m0/s1
InChIKeyLPYWGYVXOGURII-INIZCTEOSA-N
XLogP0.65
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-ethylpyrazol-4-yl)-N-[(3S)-5-oxo-1-propylpyrrolidin-3-yl]benzamide
CID 125447624
N-[(3R)-1-methyl-6-oxopiperidin-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97196232
N-(1-methyl-6-oxopiperidin-3-yl)-6-oxo-1H-pyridine-3-carboxamide
CID 64668240
N-(1-methyl-6-oxopiperidin-3-yl)-1,2,3,4-tetrahydroquinoxaline-6-carboxamide
CID 104615091
3,5-dihydroxy-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 103892579
4-amino-1-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrazole-3-carboxamide
CID 65363091
2-(methylamino)-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64669853
N-(1-methyl-6-oxopiperidin-3-yl)-1H-indazole-6-carboxamide
CID 64667250
4-amino-3-fluoro-N-(1-methyl-6-oxopiperidin-3-yl)benzamide
CID 64655889
2-amino-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 64667254
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 47170090
2-bromo-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 103752814

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
The IUPAC name of 4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide (CID 125436273) is 4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide.
What is the SMILES notation for 4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
The canonical SMILES for 4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide is CNC(=O)Cn1cc(-c2ccc(C(=O)N[C@H]3CCC(=O)N(C)C3)cc2)cn1.
What is the InChIKey of 4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
The InChIKey is LPYWGYVXOGURII-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23N5O3/c1-20-17(25)12-24-10-15(9-21-24)13-3-5-14(6-4-13)19(27)22-16-7-8-18(26)23(2)11-16/h3-6,9-10,16H,7-8,11-12H2,1-2H3,(H,20,25)(H,22,27)/t16-/m0/s1.
What are the key properties of 4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide?
4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide has a molecular weight of 369.43 g/mol, XLogP of 0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]-N-[(3S)-1-methyl-6-oxopiperidin-3-yl]benzamide is sourced from PubChem (CID 125436273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).