N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide

C18H28N4O — CID 155391895

IUPACN-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C18H28N4O/c23-18(15-21-10-4-3-5-11-21)20-16-8-9-17(19-14-16)22-12-6-1-2-7-13-22/h8-9,14H,1-7,10-13,15H2,(H,20,23)
InChIKeyBRVXOBCNFVLTPZ-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.89
Rot. Bonds4

About N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide

N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide (PubChem CID 155391895) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide.

Molecular Properties

Compound NameN-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
PubChem CID155391895
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC NameN-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide
SMILESO=C(CN1CCCCC1)Nc1ccc(N2CCCCCC2)nc1
InChIInChI=1S/C18H28N4O/c23-18(15-21-10-4-3-5-11-21)20-16-8-9-17(19-14-16)22-12-6-1-2-7-13-22/h8-9,14H,1-7,10-13,15H2,(H,20,23)
InChIKeyBRVXOBCNFVLTPZ-UHFFFAOYSA-N
XLogP2.89
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,3-dimethylpiperidin-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 136525298
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
2-(2-azabicyclo[2.2.2]octan-2-yl)-N-[6-(azepan-1-yl)-3-pyridinyl]acetamide
CID 155402749
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cycloheptylamino)acetamide
CID 155391842
N-[6-(azepan-1-yl)-3-pyridinyl]-2-(cyclohexylamino)acetamide
CID 155391840
2-(4-cyclobutyl-6-methyl-1,4-diazepan-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 136544531
6-amino-N-(6-piperidin-1-yl-3-pyridinyl)hexanamide
CID 43704579
3-cyclopentyl-N-(6-piperidin-1-yl-3-pyridinyl)propanamide
CID 52549781
N-[6-(azepan-1-yl)-3-pyridinyl]-3,3-diphenylpropanamide
CID 113015896
4-[2-(cyclopropylamino)-2-oxoethyl]-N-(6-pyrrolidin-1-yl-3-pyridinyl)piperazine-1-carboxamide
CID 167860273
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
2-(4-oxoquinolin-1-yl)-N-(6-piperidin-1-yl-3-pyridinyl)acetamide
CID 51126832

Frequently Asked Questions

What is the IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide?
The IUPAC name of N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide (CID 155391895) is N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide.
What is the SMILES notation for N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide?
The canonical SMILES for N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide is O=C(CN1CCCCC1)Nc1ccc(N2CCCCCC2)nc1.
What is the InChIKey of N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide?
The InChIKey is BRVXOBCNFVLTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c23-18(15-21-10-4-3-5-11-21)20-16-8-9-17(19-14-16)22-12-6-1-2-7-13-22/h8-9,14H,1-7,10-13,15H2,(H,20,23).
What are the key properties of N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide?
N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide has a molecular weight of 316.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azepan-1-yl)-3-pyridinyl]-2-piperidin-1-ylacetamide is sourced from PubChem (CID 155391895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).