N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C18H25N3O2 — CID 138049809

IUPACN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCOc1ccc(C(=O)NC23CCCC2NCC3)c2c1CNCC2
InChIInChI=1S/C18H25N3O2/c1-23-15-5-4-13(12-6-9-19-11-14(12)15)17(22)21-18-7-2-3-16(18)20-10-8-18/h4-5,16,19-20H,2-3,6-11H2,1H3,(H,21,22)
InChIKeyDASPIQIWIGEZCI-UHFFFAOYSA-N
MW315.42 g/mol
LogP1.36
Rot. Bonds3

About N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 138049809) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID138049809
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC NameN-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESCOc1ccc(C(=O)NC23CCCC2NCC3)c2c1CNCC2
InChIInChI=1S/C18H25N3O2/c1-23-15-5-4-13(12-6-9-19-11-14(12)15)17(22)21-18-7-2-3-16(18)20-10-8-18/h4-5,16,19-20H,2-3,6-11H2,1H3,(H,21,22)
InChIKeyDASPIQIWIGEZCI-UHFFFAOYSA-N
XLogP1.36
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-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

N-cyclopentyl-5-methoxy-1,2,3,4-tetrahydroisoquinolin-8-amine
CID 82582832
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422597
5,8-dimethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 82495738
3a-(3,4-dimethoxyphenyl)-1,2,3,4,5,6,7,7a-octahydroindole
CID 85196191
8-methoxy-N-phenyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82583004
N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558842
N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104557860
N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582986
8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 82582988
N-(3,5-dichloro-4-pyridinyl)-6-methoxy-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole-9-carboxamide;hydrochloride
CID 11683670
methyl 8-methoxy-1,2,3,4-tetrahydroisoquinoline-7-carboxylate
CID 84686653

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 138049809) is N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is COc1ccc(C(=O)NC23CCCC2NCC3)c2c1CNCC2.
What is the InChIKey of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is DASPIQIWIGEZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-23-15-5-4-13(12-6-9-19-11-14(12)15)17(22)21-18-7-2-3-16(18)20-10-8-18/h4-5,16,19-20H,2-3,6-11H2,1H3,(H,21,22).
What are the key properties of N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 315.42 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6,6a-hexahydro-1H-cyclopenta[b]pyrrol-3a-yl)-8-methoxy-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 138049809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).