1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone

C18H26N4O2 — CID 56813825

IUPAC1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)c2cccnc2N2CCCCC2)CC1
InChIInChI=1S/C18H26N4O2/c1-15(23)20-11-6-12-22(14-13-20)18(24)16-7-5-8-19-17(16)21-9-3-2-4-10-21/h5,7-8H,2-4,6,9-14H2,1H3
InChIKeyFUEZSRYXMVHPEP-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.77
Rot. Bonds2

About 1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone

1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone (PubChem CID 56813825) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
PubChem CID56813825
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
SMILESCC(=O)N1CCCN(C(=O)c2cccnc2N2CCCCC2)CC1
InChIInChI=1S/C18H26N4O2/c1-15(23)20-11-6-12-22(14-13-20)18(24)16-7-5-8-19-17(16)21-9-3-2-4-10-21/h5,7-8H,2-4,6,9-14H2,1H3
InChIKeyFUEZSRYXMVHPEP-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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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
The IUPAC name of 1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone (CID 56813825) is 1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
The canonical SMILES for 1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone is CC(=O)N1CCCN(C(=O)c2cccnc2N2CCCCC2)CC1.
What is the InChIKey of 1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
The InChIKey is FUEZSRYXMVHPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-15(23)20-11-6-12-22(14-13-20)18(24)16-7-5-8-19-17(16)21-9-3-2-4-10-21/h5,7-8H,2-4,6,9-14H2,1H3.
What are the key properties of 1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone?
1-[4-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-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-(2-piperidin-1-ylpyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone is sourced from PubChem (CID 56813825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).