N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

C18H27N3O2 — CID 138044140

IUPACN-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN3CCCCC3C2)c(C)c1
InChIInChI=1S/C18H27N3O2/c1-14-11-17(23-2)7-6-15(14)12-19-18(22)21-10-9-20-8-4-3-5-16(20)13-21/h6-7,11,16H,3-5,8-10,12-13H2,1-2H3,(H,19,22)
InChIKeyBLABRYGBZRZKLU-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.38
Rot. Bonds3

About N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide

N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (PubChem CID 138044140) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
PubChem CID138044140
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
SMILESCOc1ccc(CNC(=O)N2CCN3CCCCC3C2)c(C)c1
InChIInChI=1S/C18H27N3O2/c1-14-11-17(23-2)7-6-15(14)12-19-18(22)21-10-9-20-8-4-3-5-16(20)13-21/h6-7,11,16H,3-5,8-10,12-13H2,1-2H3,(H,19,22)
InChIKeyBLABRYGBZRZKLU-UHFFFAOYSA-N
XLogP2.38
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dimethoxyphenyl)-[(3S)-3-pyrrolidin-1-ylazepan-1-yl]methanone
CID 95616152
N-[(2-methoxy-4-pyridinyl)methyl]-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 47048297
(3R)-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 95663808
2-(4-methoxy-2-methylphenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79929436
(3S)-3-(methoxymethyl)-N-[(2-methyl-4-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 124850892
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 136579670
4-cyclopropyl-N-[(2,4,5-trimethoxyphenyl)methyl]-1,4-diazepane-1-carboxamide
CID 49121588
4-cycloheptyl-N-[2-(4-methoxyphenoxy)ethyl]piperazine-1-carboxamide
CID 113110265
2-chloro-N-[(4-methoxy-2-methylphenyl)methyl]acetamide
CID 166403863
(9aS)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 124885044
(9aR)-N-[(1S)-3-methoxy-1-(5-methylfuran-2-yl)propyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide
CID 124885042
4-[[(3-pyrrolidin-1-ylazepane-1-carbonyl)amino]methyl]benzoic acid
CID 122019519

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The IUPAC name of N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide (CID 138044140) is N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is COc1ccc(CNC(=O)N2CCN3CCCCC3C2)c(C)c1.
What is the InChIKey of N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
The InChIKey is BLABRYGBZRZKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-14-11-17(23-2)7-6-15(14)12-19-18(22)21-10-9-20-8-4-3-5-16(20)13-21/h6-7,11,16H,3-5,8-10,12-13H2,1-2H3,(H,19,22).
What are the key properties of N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide?
N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methylphenyl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carboxamide is sourced from PubChem (CID 138044140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).