3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

C19H34N4O2 — CID 120981105

IUPAC3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCC1CCN(C(=O)C2CCN(CCC(=O)N3CCNCC3)CC2)CC1
InChIInChI=1S/C19H34N4O2/c1-16-2-12-23(13-3-16)19(25)17-4-9-21(10-5-17)11-6-18(24)22-14-7-20-8-15-22/h16-17,20H,2-15H2,1H3
InChIKeyCILHBVVDGDOUQJ-UHFFFAOYSA-N
MW350.51 g/mol
LogP0.78
Rot. Bonds4

About 3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120981105) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120981105
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCC1CCN(C(=O)C2CCN(CCC(=O)N3CCNCC3)CC2)CC1
InChIInChI=1S/C19H34N4O2/c1-16-2-12-23(13-3-16)19(25)17-4-9-21(10-5-17)11-6-18(24)22-14-7-20-8-15-22/h16-17,20H,2-15H2,1H3
InChIKeyCILHBVVDGDOUQJ-UHFFFAOYSA-N
XLogP0.78
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120981105) is 3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is CC1CCN(C(=O)C2CCN(CCC(=O)N3CCNCC3)CC2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is CILHBVVDGDOUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-16-2-12-23(13-3-16)19(25)17-4-9-21(10-5-17)11-6-18(24)22-14-7-20-8-15-22/h16-17,20H,2-15H2,1H3.
What are the key properties of 3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 350.51 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120981105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).