1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one

C19H28N4O2 — CID 45210346

IUPAC1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one
SMILESCN1CCN(C(=O)CCC2CCCN(C(=O)c3cccnc3)C2)CC1
InChIInChI=1S/C19H28N4O2/c1-21-10-12-22(13-11-21)18(24)7-6-16-4-3-9-23(15-16)19(25)17-5-2-8-20-14-17/h2,5,8,14,16H,3-4,6-7,9-13,15H2,1H3
InChIKeyVIDOYGFMJBHMOB-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.49
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one

1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one (PubChem CID 45210346) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one
PubChem CID45210346
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one
SMILESCN1CCN(C(=O)CCC2CCCN(C(=O)c3cccnc3)C2)CC1
InChIInChI=1S/C19H28N4O2/c1-21-10-12-22(13-11-21)18(24)7-6-16-4-3-9-23(15-16)19(25)17-5-2-8-20-14-17/h2,5,8,14,16H,3-4,6-7,9-13,15H2,1H3
InChIKeyVIDOYGFMJBHMOB-UHFFFAOYSA-N
XLogP1.49
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one with MolForge

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Related Compounds

1-(4-methylpiperazin-1-yl)-3-[(3R)-1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one
CID 25297126
[3-(chloromethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 63392979
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]butan-1-one
CID 84550235
1-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]propan-1-one
CID 97197401
[(3R)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-pyridin-3-ylmethanone
CID 25459016
3-[(3R)-1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]-1-(4-methylpiperazin-1-yl)propan-1-one
CID 97270149
1-[3-(hydroxymethyl)piperidin-1-yl]-4-pyridin-3-ylbutane-1,4-dione
CID 110633263
3-[(3R)-1-methylpiperidin-3-yl]-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 97189893
3-(1-methylpiperidin-3-yl)-1-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-1-one
CID 72852191
3-cyclopentyl-N-[[1-(pyridine-3-carbonyl)piperidin-4-yl]methyl]propanamide
CID 90521330
2-methyl-6-[(3S)-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]piperidine-1-carbonyl]pyran-4-one
CID 97276911

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one (CID 45210346) is 1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one is CN1CCN(C(=O)CCC2CCCN(C(=O)c3cccnc3)C2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one?
The InChIKey is VIDOYGFMJBHMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-10-12-22(13-11-21)18(24)7-6-16-4-3-9-23(15-16)19(25)17-5-2-8-20-14-17/h2,5,8,14,16H,3-4,6-7,9-13,15H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one?
1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one has a molecular weight of 344.46 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-3-[1-(pyridine-3-carbonyl)piperidin-3-yl]propan-1-one is sourced from PubChem (CID 45210346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).