1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide

C17H25N5O2 — CID 84576181

IUPAC1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide
SMILESCN1CCN(c2ncccc2C(=O)N2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C17H25N5O2/c1-20-9-11-21(12-10-20)16-14(3-2-6-19-16)17(24)22-7-4-13(5-8-22)15(18)23/h2-3,6,13H,4-5,7-12H2,1H3,(H2,18,23)
InChIKeyGNXGGZFKSILCIC-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.17
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide

1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide (PubChem CID 84576181) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide
PubChem CID84576181
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide
SMILESCN1CCN(c2ncccc2C(=O)N2CCC(C(N)=O)CC2)CC1
InChIInChI=1S/C17H25N5O2/c1-20-9-11-21(12-10-20)16-14(3-2-6-19-16)17(24)22-7-4-13(5-8-22)15(18)23/h2-3,6,13H,4-5,7-12H2,1H3,(H2,18,23)
InChIKeyGNXGGZFKSILCIC-UHFFFAOYSA-N
XLogP0.17
TPSA82.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576814
1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]ethanone
CID 56692641
1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 84574180
(2-amino-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 62156557
N-methyl-1-(2-morpholin-4-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 39507171
1-(2-bromopyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 103755201
methyl 2-(4-methylpiperazin-1-yl)pyridine-3-carboxylate
CID 18536303
N,N-dimethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040781
[4-(methylaminomethyl)piperidin-1-yl]-(2-pyrrolidin-1-yl-3-pyridinyl)methanone;dihydrochloride
CID 119545764
N-phenyl-1-(2-pyrrolidin-1-ylpyridine-3-carbonyl)piperidine-4-carboxamide
CID 26978473
[2-(2-hydroxyethyl)piperidin-1-yl]-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 84576187
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 56813825

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide (CID 84576181) is 1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide is CN1CCN(c2ncccc2C(=O)N2CCC(C(N)=O)CC2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide?
The InChIKey is GNXGGZFKSILCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-20-9-11-21(12-10-20)16-14(3-2-6-19-16)17(24)22-7-4-13(5-8-22)15(18)23/h2-3,6,13H,4-5,7-12H2,1H3,(H2,18,23).
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide?
1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 84576181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).