azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone

C20H29N3O2 — CID 109107415

IUPACazepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1cncc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H29N3O2/c1-2-18-9-5-8-12-23(18)20(25)17-13-16(14-21-15-17)19(24)22-10-6-3-4-7-11-22/h13-15,18H,2-12H2,1H3
InChIKeySCQMPFOPIZTHPG-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.50
Rot. Bonds3

About azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone

azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone (PubChem CID 109107415) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
PubChem CID109107415
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Nameazepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone
SMILESCCC1CCCCN1C(=O)c1cncc(C(=O)N2CCCCCC2)c1
InChIInChI=1S/C20H29N3O2/c1-2-18-9-5-8-12-23(18)20(25)17-13-16(14-21-15-17)19(24)22-10-6-3-4-7-11-22/h13-15,18H,2-12H2,1H3
InChIKeySCQMPFOPIZTHPG-UHFFFAOYSA-N
XLogP3.50
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethylpyrrolidine-1-carbonyl)pyridine-3-carboxylic acid
CID 21062091
5-[(2S)-2-ethylpyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 58714763
[5-(cyclohexylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109226885
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
[5-(dipropylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240509
[5-(butan-2-ylamino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109225384
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[5-(N-ethylanilino)-3-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 109240527
N-(3-acetamidophenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107464
1-[4-[4-(2-ethylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046470
N-[(2-chlorophenyl)methyl]-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109105660
N-(2,3-dimethylphenyl)-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109107428

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone?
The IUPAC name of azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone (CID 109107415) is azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone.
What is the SMILES notation for azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone?
The canonical SMILES for azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone is CCC1CCCCN1C(=O)c1cncc(C(=O)N2CCCCCC2)c1.
What is the InChIKey of azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone?
The InChIKey is SCQMPFOPIZTHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-2-18-9-5-8-12-23(18)20(25)17-13-16(14-21-15-17)19(24)22-10-6-3-4-7-11-22/h13-15,18H,2-12H2,1H3.
What are the key properties of azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone?
azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone has a molecular weight of 343.47 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[5-(2-ethylpiperidine-1-carbonyl)-3-pyridinyl]methanone is sourced from PubChem (CID 109107415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).