2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide

C19H29N3O3 — CID 122172116

IUPAC2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)N(C)C1CCN(C)CC1)CCCCC2
InChIInChI=1S/C19H29N3O3/c1-20-11-8-14(9-12-20)21(2)19(24)18-15-7-5-4-6-10-22(15)17(23)13-16(18)25-3/h13-14H,4-12H2,1-3H3
InChIKeyRQRCPACKABBHML-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.75
Rot. Bonds3

About 2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide

2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide (PubChem CID 122172116) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
PubChem CID122172116
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide
SMILESCOc1cc(=O)n2c(c1C(=O)N(C)C1CCN(C)CC1)CCCCC2
InChIInChI=1S/C19H29N3O3/c1-20-11-8-14(9-12-20)21(2)19(24)18-15-7-5-4-6-10-22(15)17(23)13-16(18)25-3/h13-14H,4-12H2,1-3H3
InChIKeyRQRCPACKABBHML-UHFFFAOYSA-N
XLogP1.75
TPSA54.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The IUPAC name of 2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide (CID 122172116) is 2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide.
What is the SMILES notation for 2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The canonical SMILES for 2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide is COc1cc(=O)n2c(c1C(=O)N(C)C1CCN(C)CC1)CCCCC2.
What is the InChIKey of 2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
The InChIKey is RQRCPACKABBHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-20-11-8-14(9-12-20)21(2)19(24)18-15-7-5-4-6-10-22(15)17(23)13-16(18)25-3/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide?
2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)-4-oxo-7,8,9,10-tetrahydro-6H-pyrido[1,2-a]azepine-1-carboxamide is sourced from PubChem (CID 122172116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).