4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide

C17H28N6O — CID 155944201

IUPAC4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C17H28N6O/c1-20-5-9-22(10-6-20)16-13-15(3-4-18-16)14-19-17(24)23-11-7-21(2)8-12-23/h3-4,13H,5-12,14H2,1-2H3,(H,19,24)
InChIKeyQAUOHABZVNQJSE-UHFFFAOYSA-N
MW332.45 g/mol
LogP0.29
Rot. Bonds3

About 4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide

4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide (PubChem CID 155944201) has the molecular formula C17H28N6O and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
PubChem CID155944201
Molecular FormulaC17H28N6O
Molecular Weight332.45 g/mol
Exact Mass332.23
IUPAC Name4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC1
InChIInChI=1S/C17H28N6O/c1-20-5-9-22(10-6-20)16-13-15(3-4-18-16)14-19-17(24)23-11-7-21(2)8-12-23/h3-4,13H,5-12,14H2,1-2H3,(H,19,24)
InChIKeyQAUOHABZVNQJSE-UHFFFAOYSA-N
XLogP0.29
TPSA54.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
4-(4-methoxyphenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]piperazine-1-carboxamide
CID 55589473
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
3-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2,3-dihydroindole-1-carboxamide
CID 87004089
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
3-(3-methylphenyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 55742598
N-[[2-(4-ethylpiperazin-1-yl)-4-pyridinyl]methyl]-3-azaspiro[5.5]undecane-3-carboxamide
CID 86882069

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide (CID 155944201) is 4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide is CN1CCN(C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CC1.
What is the InChIKey of 4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide?
The InChIKey is QAUOHABZVNQJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O/c1-20-5-9-22(10-6-20)16-13-15(3-4-18-16)14-19-17(24)23-11-7-21(2)8-12-23/h3-4,13H,5-12,14H2,1-2H3,(H,19,24).
What are the key properties of 4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide?
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide is sourced from PubChem (CID 155944201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).