[1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone

C19H27N5O — CID 126515406

IUPAC[1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1nc2c([nH]1)=CC=CC(N1CCCC(C(=O)N3CCCCC3)C1)N=2
InChIInChI=1S/C19H27N5O/c1-14-20-16-8-5-9-17(22-18(16)21-14)24-12-6-7-15(13-24)19(25)23-10-3-2-4-11-23/h5,8-9,15,17H,2-4,6-7,10-13H2,1H3,(H,20,21,22)
InChIKeyUFNPFTMMCCAIPM-UHFFFAOYSA-N
MW341.46 g/mol
LogP0.74
Rot. Bonds2

About [1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone

[1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone (PubChem CID 126515406) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone
PubChem CID126515406
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone
SMILESCc1nc2c([nH]1)=CC=CC(N1CCCC(C(=O)N3CCCCC3)C1)N=2
InChIInChI=1S/C19H27N5O/c1-14-20-16-8-5-9-17(22-18(16)21-14)24-12-6-7-15(13-24)19(25)23-10-3-2-4-11-23/h5,8-9,15,17H,2-4,6-7,10-13H2,1H3,(H,20,21,22)
InChIKeyUFNPFTMMCCAIPM-UHFFFAOYSA-N
XLogP0.74
TPSA64.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone (CID 126515406) is [1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone is Cc1nc2c([nH]1)=CC=CC(N1CCCC(C(=O)N3CCCCC3)C1)N=2.
What is the InChIKey of [1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
The InChIKey is UFNPFTMMCCAIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14-20-16-8-5-9-17(22-18(16)21-14)24-12-6-7-15(13-24)19(25)23-10-3-2-4-11-23/h5,8-9,15,17H,2-4,6-7,10-13H2,1H3,(H,20,21,22).
What are the key properties of [1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone?
[1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone has a molecular weight of 341.46 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methyl-1,5-dihydroimidazo[4,5-b]azepin-5-yl)piperidin-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 126515406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).