azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone

C16H25N3O — CID 62716935

IUPACazepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESO=C(c1cccn1C1CCNCC1)N1CCCCCC1
InChIInChI=1S/C16H25N3O/c20-16(18-11-3-1-2-4-12-18)15-6-5-13-19(15)14-7-9-17-10-8-14/h5-6,13-14,17H,1-4,7-12H2
InChIKeyFUBXBIYPCOGGTM-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.43
Rot. Bonds2

About azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone

azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone (PubChem CID 62716935) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone.

Molecular Properties

Compound Nameazepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
PubChem CID62716935
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Nameazepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
SMILESO=C(c1cccn1C1CCNCC1)N1CCCCCC1
InChIInChI=1S/C16H25N3O/c20-16(18-11-3-1-2-4-12-18)15-6-5-13-19(15)14-7-9-17-10-8-14/h5-6,13-14,17H,1-4,7-12H2
InChIKeyFUBXBIYPCOGGTM-UHFFFAOYSA-N
XLogP2.43
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

morpholin-4-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62715735
(3,5-dimethylpiperidin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 62716093
cyclopropyl-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564829
(3,4-dimethylpiperazin-1-yl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 63634555
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 115965184
(3-aminoazetidin-1-yl)-(1-cyclobutylpyrrol-2-yl)methanone
CID 114610392
(1-cyclobutylpyrrol-2-yl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107406232
1-(1-piperidin-4-ylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 116564730
(1-cyclopropylpyrrol-2-yl)-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114680510
ethyl (3S)-1-(1-cyclopropylpyrrole-2-carbonyl)piperidine-3-carboxylate
CID 115535626
3-methyl-1-(1-piperidin-4-ylpyrrol-2-yl)but-3-en-1-one
CID 116564816
(2-fluorophenyl)-(1-piperidin-4-ylpyrrol-2-yl)methanone
CID 116564738

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The IUPAC name of azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone (CID 62716935) is azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone.
What is the SMILES notation for azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The canonical SMILES for azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone is O=C(c1cccn1C1CCNCC1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone?
The InChIKey is FUBXBIYPCOGGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c20-16(18-11-3-1-2-4-12-18)15-6-5-13-19(15)14-7-9-17-10-8-14/h5-6,13-14,17H,1-4,7-12H2.
What are the key properties of azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone?
azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone has a molecular weight of 275.40 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-(1-piperidin-4-ylpyrrol-2-yl)methanone is sourced from PubChem (CID 62716935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).