1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone

C18H26N4O2 — CID 109209058

IUPAC1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(N3CCCCCC3)ccn2)CC1
InChIInChI=1S/C18H26N4O2/c1-15(23)20-10-12-22(13-11-20)18(24)17-14-16(6-7-19-17)21-8-4-2-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3
InChIKeyHNDITTHEALMZTN-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.77
Rot. Bonds2

About 1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone

1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone (PubChem CID 109209058) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
PubChem CID109209058
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2cc(N3CCCCCC3)ccn2)CC1
InChIInChI=1S/C18H26N4O2/c1-15(23)20-10-12-22(13-11-20)18(24)17-14-16(6-7-19-17)21-8-4-2-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3
InChIKeyHNDITTHEALMZTN-UHFFFAOYSA-N
XLogP1.77
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-piperidin-1-yl-2-pyridinyl)-pyrrolidin-1-ylmethanone
CID 109203615
piperidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203804
pyrrolidin-1-yl-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 10776780
1-[4-(4-morpholin-4-ylpyridine-2-carbonyl)piperazin-1-yl]ethanone
CID 109206574
[4-(azepan-1-yl)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 109205143
[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204371
azepan-1-yl-[4-(4-ethylpiperazin-1-yl)-2-pyridinyl]methanone
CID 109208613
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865
[4-(azepan-1-yl)-2-pyridinyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109216068
4-[2-(azepane-1-carbonyl)-4-pyridinyl]piperazine-1-carbaldehyde
CID 109208915
[4-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]-piperidin-1-ylmethanone
CID 109204404
(3-methylpiperidin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203878

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone (CID 109209058) is 1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2cc(N3CCCCCC3)ccn2)CC1.
What is the InChIKey of 1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
The InChIKey is HNDITTHEALMZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-15(23)20-10-12-22(13-11-20)18(24)17-14-16(6-7-19-17)21-8-4-2-3-5-9-21/h6-7,14H,2-5,8-13H2,1H3.
What are the key properties of 1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone?
1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone has a molecular weight of 330.43 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(azepan-1-yl)pyridine-2-carbonyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 109209058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).