(3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone

C13H18N2O — CID 155132154

IUPAC(3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone
SMILESCC1=CN=C(C(=O)N2CCCCC2)C=CC1
InChIInChI=1S/C13H18N2O/c1-11-6-5-7-12(14-10-11)13(16)15-8-3-2-4-9-15/h5,7,10H,2-4,6,8-9H2,1H3
InChIKeyHUCDLXAWTPJWNJ-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.30
Rot. Bonds1

About (3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone

(3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone (PubChem CID 155132154) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is (3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone
PubChem CID155132154
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name(3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone
SMILESCC1=CN=C(C(=O)N2CCCCC2)C=CC1
InChIInChI=1S/C13H18N2O/c1-11-6-5-7-12(14-10-11)13(16)15-8-3-2-4-9-15/h5,7,10H,2-4,6,8-9H2,1H3
InChIKeyHUCDLXAWTPJWNJ-UHFFFAOYSA-N
XLogP2.30
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone?
The IUPAC name of (3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone (CID 155132154) is (3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone is CC1=CN=C(C(=O)N2CCCCC2)C=CC1.
What is the InChIKey of (3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone?
The InChIKey is HUCDLXAWTPJWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-11-6-5-7-12(14-10-11)13(16)15-8-3-2-4-9-15/h5,7,10H,2-4,6,8-9H2,1H3.
What are the key properties of (3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone?
(3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone has a molecular weight of 218.30 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4H-azepin-7-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 155132154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).