1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide

C17H25N5O2 — CID 84574180

IUPAC1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide
SMILESCN1CCN(c2cccc(C(=O)N3CCC(C(N)=O)CC3)n2)CC1
InChIInChI=1S/C17H25N5O2/c1-20-9-11-21(12-10-20)15-4-2-3-14(19-15)17(24)22-7-5-13(6-8-22)16(18)23/h2-4,13H,5-12H2,1H3,(H2,18,23)
InChIKeyXOPBMFWXBJRHDD-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.17
Rot. Bonds3

About 1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide

1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 84574180) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide
PubChem CID84574180
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide
SMILESCN1CCN(c2cccc(C(=O)N3CCC(C(N)=O)CC3)n2)CC1
InChIInChI=1S/C17H25N5O2/c1-20-9-11-21(12-10-20)15-4-2-3-14(19-15)17(24)22-7-5-13(6-8-22)16(18)23/h2-4,13H,5-12H2,1H3,(H2,18,23)
InChIKeyXOPBMFWXBJRHDD-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

6-(4-carbamoylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 55053558
(3,5-dimethylpiperidin-1-yl)-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 84574061
[6-(4-methylpiperazin-1-yl)-2-pyridinyl]-[4-(5-methyl-3-pyridinyl)piperidin-1-yl]methanone
CID 166259892
azepan-1-yl-[6-(azepan-1-yl)-2-pyridinyl]methanone
CID 84573821
1-[2-(4-methylpiperazin-1-yl)pyridine-3-carbonyl]piperidine-4-carboxamide
CID 84576181
1-(6-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 133313226
1-[6-(2-chlorophenyl)pyridine-2-carbonyl]piperidine-4-carboxamide
CID 58211023
6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]methanone
CID 136554612
(4-phenylpiperazin-1-yl)-(6-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 84573598
[6-(4-methyl-1,4-diazepan-1-yl)-2-pyridinyl]-[3-(2-methylphenoxy)pyrrolidin-1-yl]methanone;hydrochloride
CID 68654981
(3,5-dimethylpiperidin-1-yl)-(6-piperidin-1-yl-2-pyridinyl)methanone
CID 84573681
1-(6-pyrazol-1-ylpyridine-2-carbonyl)piperidine-4-carboxylic acid
CID 119349450

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide (CID 84574180) is 1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide is CN1CCN(c2cccc(C(=O)N3CCC(C(N)=O)CC3)n2)CC1.
What is the InChIKey of 1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is XOPBMFWXBJRHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-20-9-11-21(12-10-20)15-4-2-3-14(19-15)17(24)22-7-5-13(6-8-22)16(18)23/h2-4,13H,5-12H2,1H3,(H2,18,23).
What are the key properties of 1-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide?
1-[6-(4-methylpiperazin-1-yl)pyridine-2-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-[6-(4-methylpiperazin-1-yl)pyridine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 84574180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).