2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone

C19H35N5O2 — CID 56861946

IUPAC2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(N2CCCC(C(=O)N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C19H35N5O2/c1-20-14-18(25)22-8-5-17(6-9-22)24-7-3-4-16(15-24)19(26)23-12-10-21(2)11-13-23/h16-17,20H,3-15H2,1-2H3
InChIKeyXSIXRMBOGBQXDV-UHFFFAOYSA-N
MW365.52 g/mol
LogP-0.32
Rot. Bonds4

About 2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone

2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 56861946) has the molecular formula C19H35N5O2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID56861946
Molecular FormulaC19H35N5O2
Molecular Weight365.52 g/mol
Exact Mass365.28
IUPAC Name2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESCNCC(=O)N1CCC(N2CCCC(C(=O)N3CCN(C)CC3)C2)CC1
InChIInChI=1S/C19H35N5O2/c1-20-14-18(25)22-8-5-17(6-9-22)24-7-3-4-16(15-24)19(26)23-12-10-21(2)11-13-23/h16-17,20H,3-15H2,1-2H3
InChIKeyXSIXRMBOGBQXDV-UHFFFAOYSA-N
XLogP-0.32
TPSA59.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 56861946) is 2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is CNCC(=O)N1CCC(N2CCCC(C(=O)N3CCN(C)CC3)C2)CC1.
What is the InChIKey of 2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is XSIXRMBOGBQXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O2/c1-20-14-18(25)22-8-5-17(6-9-22)24-7-3-4-16(15-24)19(26)23-12-10-21(2)11-13-23/h16-17,20H,3-15H2,1-2H3.
What are the key properties of 2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 365.52 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-[3-(4-methylpiperazine-1-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 56861946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).