2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone

C17H30N4O3 — CID 56868149

IUPAC2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C17H30N4O3/c18-12-16(22)19-6-3-15(4-7-19)21-5-1-2-14(13-21)17(23)20-8-10-24-11-9-20/h14-15H,1-13,18H2
InChIKeyBIMGZMMKELHVPS-UHFFFAOYSA-N
MW338.45 g/mol
LogP-0.49
Rot. Bonds3

About 2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone

2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (PubChem CID 56868149) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
PubChem CID56868149
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone
SMILESNCC(=O)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1
InChIInChI=1S/C17H30N4O3/c18-12-16(22)19-6-3-15(4-7-19)21-5-1-2-14(13-21)17(23)20-8-10-24-11-9-20/h14-15H,1-13,18H2
InChIKeyBIMGZMMKELHVPS-UHFFFAOYSA-N
XLogP-0.49
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone (CID 56868149) is 2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is NCC(=O)N1CCC(N2CCCC(C(=O)N3CCOCC3)C2)CC1.
What is the InChIKey of 2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
The InChIKey is BIMGZMMKELHVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c18-12-16(22)19-6-3-15(4-7-19)21-5-1-2-14(13-21)17(23)20-8-10-24-11-9-20/h14-15H,1-13,18H2.
What are the key properties of 2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone?
2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone has a molecular weight of 338.45 g/mol, XLogP of -0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[3-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 56868149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).