(3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C16H30N4O2 — CID 126752736

IUPAC(3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)N2CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C16H30N4O2/c1-14(2)17-5-7-19(8-6-17)16(21)20-4-3-15(13-20)18-9-11-22-12-10-18/h14-15H,3-13H2,1-2H3
InChIKeyAVDGNXLZTZEFLM-UHFFFAOYSA-N
MW310.44 g/mol
LogP0.54
Rot. Bonds2

About (3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 126752736) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is (3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID126752736
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name(3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCC(C)N1CCN(C(=O)N2CCC(N3CCOCC3)C2)CC1
InChIInChI=1S/C16H30N4O2/c1-14(2)17-5-7-19(8-6-17)16(21)20-4-3-15(13-20)18-9-11-22-12-10-18/h14-15H,3-13H2,1-2H3
InChIKeyAVDGNXLZTZEFLM-UHFFFAOYSA-N
XLogP0.54
TPSA39.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 126752736) is (3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is CC(C)N1CCN(C(=O)N2CCC(N3CCOCC3)C2)CC1.
What is the InChIKey of (3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is AVDGNXLZTZEFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-14(2)17-5-7-19(8-6-17)16(21)20-4-3-15(13-20)18-9-11-22-12-10-18/h14-15H,3-13H2,1-2H3.
What are the key properties of (3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 310.44 g/mol, XLogP of 0.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-morpholin-4-ylpyrrolidin-1-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 126752736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).