1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

C17H30N4O3 — CID 120632040

IUPAC1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCN1
InChIInChI=1S/C17H30N4O3/c1-14-12-15(2-3-18-14)17(23)21-6-4-20(5-7-21)16(22)13-19-8-10-24-11-9-19/h14-15,18H,2-13H2,1H3/t14-,15-/m0/s1
InChIKeyKTQYIIHJZKYWQE-GJZGRUSLSA-N
MW338.45 g/mol
LogP-0.62
Rot. Bonds3

About 1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 120632040) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID120632040
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESC[C@H]1C[C@@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCN1
InChIInChI=1S/C17H30N4O3/c1-14-12-15(2-3-18-14)17(23)21-6-4-20(5-7-21)16(22)13-19-8-10-24-11-9-19/h14-15,18H,2-13H2,1H3/t14-,15-/m0/s1
InChIKeyKTQYIIHJZKYWQE-GJZGRUSLSA-N
XLogP-0.62
TPSA65.12 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 ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 120632040) is 1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is C[C@H]1C[C@@H](C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CCN1.
What is the InChIKey of 1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is KTQYIIHJZKYWQE-GJZGRUSLSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-14-12-15(2-3-18-14)17(23)21-6-4-20(5-7-21)16(22)13-19-8-10-24-11-9-19/h14-15,18H,2-13H2,1H3/t14-,15-/m0/s1.
What are the key properties of 1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 338.45 g/mol, XLogP of -0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2S,4S)-2-methylpiperidine-4-carbonyl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 120632040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).