1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone

C17H23N3O3 — CID 56801222

IUPAC1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(COCC1CC1)N1CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C17H23N3O3/c21-16(11-15-3-1-2-6-18-15)19-7-9-20(10-8-19)17(22)13-23-12-14-4-5-14/h1-3,6,14H,4-5,7-13H2
InChIKeyKYYBPOLEIITCFK-UHFFFAOYSA-N
MW317.39 g/mol
LogP0.72
Rot. Bonds6

About 1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone

1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone (PubChem CID 56801222) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone
PubChem CID56801222
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone
SMILESO=C(COCC1CC1)N1CCN(C(=O)Cc2ccccn2)CC1
InChIInChI=1S/C17H23N3O3/c21-16(11-15-3-1-2-6-18-15)19-7-9-20(10-8-19)17(22)13-23-12-14-4-5-14/h1-3,6,14H,4-5,7-13H2
InChIKeyKYYBPOLEIITCFK-UHFFFAOYSA-N
XLogP0.72
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The IUPAC name of 1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone (CID 56801222) is 1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone.
What is the SMILES notation for 1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The canonical SMILES for 1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone is O=C(COCC1CC1)N1CCN(C(=O)Cc2ccccn2)CC1.
What is the InChIKey of 1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
The InChIKey is KYYBPOLEIITCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c21-16(11-15-3-1-2-6-18-15)19-7-9-20(10-8-19)17(22)13-23-12-14-4-5-14/h1-3,6,14H,4-5,7-13H2.
What are the key properties of 1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone?
1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone has a molecular weight of 317.39 g/mol, XLogP of 0.72, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(cyclopropylmethoxy)acetyl]piperazin-1-yl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 56801222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).