N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide

C14H21N5O2 — CID 56917601

IUPACN-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)C1CNCC(=O)N1
InChIInChI=1S/C14H21N5O2/c1-19(14(21)11-6-15-7-13(20)16-11)8-12-9-4-2-3-5-10(9)17-18-12/h11,15H,2-8H2,1H3,(H,16,20)(H,17,18)
InChIKeyDYJIITGGYRCDHO-UHFFFAOYSA-N
MW291.36 g/mol
LogP-0.67
Rot. Bonds3

About N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide

N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide (PubChem CID 56917601) has the molecular formula C14H21N5O2 and a molecular weight of 291.36 g/mol. Its IUPAC name is N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide
PubChem CID56917601
Molecular FormulaC14H21N5O2
Molecular Weight291.36 g/mol
Exact Mass291.17
IUPAC NameN-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide
SMILESCN(Cc1n[nH]c2c1CCCC2)C(=O)C1CNCC(=O)N1
InChIInChI=1S/C14H21N5O2/c1-19(14(21)11-6-15-7-13(20)16-11)8-12-9-4-2-3-5-10(9)17-18-12/h11,15H,2-8H2,1H3,(H,16,20)(H,17,18)
InChIKeyDYJIITGGYRCDHO-UHFFFAOYSA-N
XLogP-0.67
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide (CID 56917601) is N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide is CN(Cc1n[nH]c2c1CCCC2)C(=O)C1CNCC(=O)N1.
What is the InChIKey of N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide?
The InChIKey is DYJIITGGYRCDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-19(14(21)11-6-15-7-13(20)16-11)8-12-9-4-2-3-5-10(9)17-18-12/h11,15H,2-8H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide?
N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide has a molecular weight of 291.36 g/mol, XLogP of -0.67, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 56917601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).