azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone

C18H27N3O — CID 5116844

IUPACazepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccn2)C1)N1CCCCCC1
InChIInChI=1S/C18H27N3O/c22-18(21-12-5-1-2-6-13-21)16-8-7-11-20(14-16)15-17-9-3-4-10-19-17/h3-4,9-10,16H,1-2,5-8,11-15H2
InChIKeyTWICQFAVVXGLRU-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.70
Rot. Bonds3

About azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone

azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone (PubChem CID 5116844) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Nameazepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
PubChem CID5116844
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Nameazepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
SMILESO=C(C1CCCN(Cc2ccccn2)C1)N1CCCCCC1
InChIInChI=1S/C18H27N3O/c22-18(21-12-5-1-2-6-13-21)16-8-7-11-20(14-16)15-17-9-3-4-10-19-17/h3-4,9-10,16H,1-2,5-8,11-15H2
InChIKeyTWICQFAVVXGLRU-UHFFFAOYSA-N
XLogP2.70
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 4551047
(4-benzylpiperidin-1-yl)-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone
CID 3783118
[1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 72840558
[(3S)-1-(furan-2-ylmethyl)piperidin-3-yl]-[4-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 97187368
[(3R)-1-benzylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 756196
azepan-1-yl-[(3R)-1-benzylpiperidin-3-yl]methanone
CID 756185
N'-hydroxy-1-(pyridin-2-ylmethyl)piperidine-3-carboximidamide
CID 77041469
2-[(3-chloropiperidin-1-yl)methyl]pyridine
CID 63386992
piperidin-3-yl-[4-(pyridin-2-ylmethyl)piperazin-1-yl]methanone
CID 60940276
azepan-1-yl-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]methanone
CID 756318
methyl (3R)-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxylate
CID 142605385
(3R)-N-(5-chloro-2-pyridinyl)-1-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95282049

Frequently Asked Questions

What is the IUPAC name of azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
The IUPAC name of azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone (CID 5116844) is azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone.
What is the SMILES notation for azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
The canonical SMILES for azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone is O=C(C1CCCN(Cc2ccccn2)C1)N1CCCCCC1.
What is the InChIKey of azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
The InChIKey is TWICQFAVVXGLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c22-18(21-12-5-1-2-6-13-21)16-8-7-11-20(14-16)15-17-9-3-4-10-19-17/h3-4,9-10,16H,1-2,5-8,11-15H2.
What are the key properties of azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone?
azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone has a molecular weight of 301.43 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azepan-1-yl-[1-(pyridin-2-ylmethyl)piperidin-3-yl]methanone is sourced from PubChem (CID 5116844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).