2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone

C19H35N5O3 — CID 139421466

IUPAC2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(CC2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C19H35N5O3/c1-20-14-18(25)23-8-6-22(7-9-23)15-17-2-4-21(5-3-17)16-19(26)24-10-12-27-13-11-24/h17,20H,2-16H2,1H3
InChIKeyAMTATNMTAFHVKS-UHFFFAOYSA-N
MW381.52 g/mol
LogP-1.08
Rot. Bonds6

About 2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone

2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 139421466) has the molecular formula C19H35N5O3 and a molecular weight of 381.52 g/mol. Its IUPAC name is 2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone
PubChem CID139421466
Molecular FormulaC19H35N5O3
Molecular Weight381.52 g/mol
Exact Mass381.27
IUPAC Name2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone
SMILESCNCC(=O)N1CCN(CC2CCN(CC(=O)N3CCOCC3)CC2)CC1
InChIInChI=1S/C19H35N5O3/c1-20-14-18(25)23-8-6-22(7-9-23)15-17-2-4-21(5-3-17)16-19(26)24-10-12-27-13-11-24/h17,20H,2-16H2,1H3
InChIKeyAMTATNMTAFHVKS-UHFFFAOYSA-N
XLogP-1.08
TPSA68.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone (CID 139421466) is 2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone is CNCC(=O)N1CCN(CC2CCN(CC(=O)N3CCOCC3)CC2)CC1.
What is the InChIKey of 2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is AMTATNMTAFHVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O3/c1-20-14-18(25)23-8-6-22(7-9-23)15-17-2-4-21(5-3-17)16-19(26)24-10-12-27-13-11-24/h17,20H,2-16H2,1H3.
What are the key properties of 2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone?
2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 381.52 g/mol, XLogP of -1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[4-[[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139421466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).