1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide

C13H21N5O2 — CID 47170090

IUPAC1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C13H21N5O2/c1-14-12(19)9-18-5-3-11(4-6-18)16-13(20)10-7-15-17(2)8-10/h7-8,11H,3-6,9H2,1-2H3,(H,14,19)(H,16,20)
InChIKeyHJBCVZFMNSJGLI-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.64
Rot. Bonds4

About 1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide

1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide (PubChem CID 47170090) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
PubChem CID47170090
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
SMILESCNC(=O)CN1CCC(NC(=O)c2cnn(C)c2)CC1
InChIInChI=1S/C13H21N5O2/c1-14-12(19)9-18-5-3-11(4-6-18)16-13(20)10-7-15-17(2)8-10/h7-8,11H,3-6,9H2,1-2H3,(H,14,19)(H,16,20)
InChIKeyHJBCVZFMNSJGLI-UHFFFAOYSA-N
XLogP-0.64
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-phenylpyrazole-4-carboxamide
CID 32526900
5-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 154738846
1-methyl-N-(4-methylcyclohexyl)pyrazole-4-carboxamide
CID 4712824
N-[1-[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 55842278
N-(4-bromocyclohexyl)-1-methylpyrazole-4-carboxamide
CID 114309173
1-methyl-N-[1-[2-(triazol-2-yl)ethyl]piperidin-3-yl]pyrazole-4-carboxamide
CID 171994150
1-methyl-N-[1-(2-naphthalen-1-yloxyethyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 47079917
3-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1,2-oxazole-5-carboxamide
CID 47170091
1-methyl-N-[1-(2-methylbutylsulfonyl)piperidin-4-yl]pyrazole-4-carboxamide
CID 154748608
5-chloro-1,3-dimethyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide
CID 32529148
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 1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide (CID 47170090) is 1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide is CNC(=O)CN1CCC(NC(=O)c2cnn(C)c2)CC1.
What is the InChIKey of 1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide?
The InChIKey is HJBCVZFMNSJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-14-12(19)9-18-5-3-11(4-6-18)16-13(20)10-7-15-17(2)8-10/h7-8,11H,3-6,9H2,1-2H3,(H,14,19)(H,16,20).
What are the key properties of 1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide?
1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide has a molecular weight of 279.34 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]pyrazole-4-carboxamide is sourced from PubChem (CID 47170090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).