1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

C17H29N3O2 — CID 110741284

IUPAC1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(C(C)C3CC3)CC2)CC1
InChIInChI=1S/C17H29N3O2/c1-13(15-3-4-15)18-9-11-20(12-10-18)17(22)16-5-7-19(8-6-16)14(2)21/h13,15-16H,3-12H2,1-2H3
InChIKeyIWEZYFRECYDQSA-UHFFFAOYSA-N
MW307.44 g/mol
LogP1.19
Rot. Bonds3

About 1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone

1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (PubChem CID 110741284) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
PubChem CID110741284
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(C(=O)N2CCN(C(C)C3CC3)CC2)CC1
InChIInChI=1S/C17H29N3O2/c1-13(15-3-4-15)18-9-11-20(12-10-18)17(22)16-5-7-19(8-6-16)14(2)21/h13,15-16H,3-12H2,1-2H3
InChIKeyIWEZYFRECYDQSA-UHFFFAOYSA-N
XLogP1.19
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone (CID 110741284) is 1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is CC(=O)N1CCC(C(=O)N2CCN(C(C)C3CC3)CC2)CC1.
What is the InChIKey of 1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
The InChIKey is IWEZYFRECYDQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-13(15-3-4-15)18-9-11-20(12-10-18)17(22)16-5-7-19(8-6-16)14(2)21/h13,15-16H,3-12H2,1-2H3.
What are the key properties of 1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone?
1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone has a molecular weight of 307.44 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1-cyclopropylethyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110741284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).