2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide

C22H35N5O — CID 136544531

IUPAC2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CCN(C2CCC2)C1
InChIInChI=1S/C22H35N5O/c1-18-15-25(12-13-27(16-18)20-6-5-7-20)17-22(28)24-19-8-9-21(23-14-19)26-10-3-2-4-11-26/h8-9,14,18,20H,2-7,10-13,15-17H2,1H3,(H,24,28)
InChIKeyATGQMZZTMYCYNQ-UHFFFAOYSA-N
MW385.56 g/mol
LogP2.82
Rot. Bonds5

About 2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide

2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide (PubChem CID 136544531) has the molecular formula C22H35N5O and a molecular weight of 385.56 g/mol. Its IUPAC name is 2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
PubChem CID136544531
Molecular FormulaC22H35N5O
Molecular Weight385.56 g/mol
Exact Mass385.28
IUPAC Name2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
SMILESCC1CN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CCN(C2CCC2)C1
InChIInChI=1S/C22H35N5O/c1-18-15-25(12-13-27(16-18)20-6-5-7-20)17-22(28)24-19-8-9-21(23-14-19)26-10-3-2-4-11-26/h8-9,14,18,20H,2-7,10-13,15-17H2,1H3,(H,24,28)
InChIKeyATGQMZZTMYCYNQ-UHFFFAOYSA-N
XLogP2.82
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.56
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide with MolForge

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Related Compounds

N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
CID 155391895
2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide
CID 155402749
N-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 11623843
2-(3,3-dimethylpiperidin-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 136525298
2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 155402796
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
N-[6-(3-azabicyclo[3.2.2]nonan-3-yl)-3-pyridinyl]-2-(8-azabicyclo[3.2.1]octan-8-yl)acetamide
CID 166024726
2-amino-N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 82034957
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide?
The IUPAC name of 2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide (CID 136544531) is 2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide?
The canonical SMILES for 2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide is CC1CN(CC(=O)Nc2ccc(N3CCCCC3)nc2)CCN(C2CCC2)C1.
What is the InChIKey of 2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide?
The InChIKey is ATGQMZZTMYCYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35N5O/c1-18-15-25(12-13-27(16-18)20-6-5-7-20)17-22(28)24-19-8-9-21(23-14-19)26-10-3-2-4-11-26/h8-9,14,18,20H,2-7,10-13,15-17H2,1H3,(H,24,28).
What are the key properties of 2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide?
2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide has a molecular weight of 385.56 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide is sourced from PubChem (CID 136544531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).