N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide

C12H19N5O2 — CID 60800702

IUPACN-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(CC(N)=O)C2CCCNC2)cn1
InChIInChI=1S/C12H19N5O2/c1-16-7-9(5-15-16)12(19)17(8-11(13)18)10-3-2-4-14-6-10/h5,7,10,14H,2-4,6,8H2,1H3,(H2,13,18)
InChIKeyNCBOJIDVWPMNJI-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.90
Rot. Bonds4

About N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide

N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide (PubChem CID 60800702) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
PubChem CID60800702
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC NameN-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N(CC(N)=O)C2CCCNC2)cn1
InChIInChI=1S/C12H19N5O2/c1-16-7-9(5-15-16)12(19)17(8-11(13)18)10-3-2-4-14-6-10/h5,7,10,14H,2-4,6,8H2,1H3,(H2,13,18)
InChIKeyNCBOJIDVWPMNJI-UHFFFAOYSA-N
XLogP-0.90
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopentyl-(1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 54926515
2-[acetyl(piperidin-3-yl)amino]acetamide
CID 60802262
N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide
CID 81445654
N-ethyl-1-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 60807095
methyl N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcarbamate
CID 60801559
N-(2-amino-2-oxoethyl)-2,5-dimethyl-N-piperidin-3-ylbenzamide
CID 60800165
1-(1-methylpyrazol-4-yl)-2-piperidin-3-ylethanone
CID 116564116
N-(2-chloroethyl)-N-cyclohexyl-1-methylpyrazole-4-carboxamide
CID 55186075
N-(2-amino-2-oxoethyl)-2-hydroxy-3-methyl-N-piperidin-3-ylbenzamide
CID 60799804
2-acetamido-N-(2-amino-2-oxoethyl)-N-piperidin-3-ylacetamide
CID 60799984
N-(2-amino-2-oxoethyl)-N-piperidin-3-ylcyclopentanecarboxamide
CID 60801225
2-[(2-methoxyacetyl)-piperidin-3-ylamino]acetamide
CID 61277569

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide (CID 60800702) is N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide is Cn1cc(C(=O)N(CC(N)=O)C2CCCNC2)cn1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
The InChIKey is NCBOJIDVWPMNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-16-7-9(5-15-16)12(19)17(8-11(13)18)10-3-2-4-14-6-10/h5,7,10,14H,2-4,6,8H2,1H3,(H2,13,18).
What are the key properties of N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide?
N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide has a molecular weight of 265.32 g/mol, XLogP of -0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-methyl-N-piperidin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 60800702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).