N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

C27H38N4O2S — CID 140651867

IUPACN-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN1C(C(=O)N2CCC(CCCCNC(=O)c3cc4ccncc4s3)CC2)CC2CCCCC21
InChIInChI=1S/C27H38N4O2S/c1-30-22-8-3-2-7-20(22)16-23(30)27(33)31-14-10-19(11-15-31)6-4-5-12-29-26(32)24-17-21-9-13-28-18-25(21)34-24/h9,13,17-20,22-23H,2-8,10-12,14-16H2,1H3,(H,29,32)
InChIKeySWMWMMSXKCKGME-UHFFFAOYSA-N
MW482.69 g/mol
LogP4.70
Rot. Bonds7

About N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide

N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (PubChem CID 140651867) has the molecular formula C27H38N4O2S and a molecular weight of 482.69 g/mol. Its IUPAC name is N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
PubChem CID140651867
Molecular FormulaC27H38N4O2S
Molecular Weight482.69 g/mol
Exact Mass482.27
IUPAC NameN-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
SMILESCN1C(C(=O)N2CCC(CCCCNC(=O)c3cc4ccncc4s3)CC2)CC2CCCCC21
InChIInChI=1S/C27H38N4O2S/c1-30-22-8-3-2-7-20(22)16-23(30)27(33)31-14-10-19(11-15-31)6-4-5-12-29-26(32)24-17-21-9-13-28-18-25(21)34-24/h9,13,17-20,22-23H,2-8,10-12,14-16H2,1H3,(H,29,32)
InChIKeySWMWMMSXKCKGME-UHFFFAOYSA-N
XLogP4.70
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.69
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[4-[1-(3-fluoro-4-methylcyclohexanecarbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 140651970
N-[4-[1-[4-(trifluoromethyl)cyclohexanecarbonyl]piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 140651901
N-[4-[1-(4-propan-2-yl-1,3-oxazolidine-5-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 129142612
N-[4-[1-(5-propan-2-ylpyridine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983527
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 70983195
N-[4-[1-(2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90381302
N-[4-[1-(furo[2,3-c]pyridine-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide
CID 90381466
6-[1-(1-benzothiophene-2-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 158197684
N-[4-[1-(4-chlorobenzoyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide;N-[4-[1-[[6-(trifluoromethyl)-3-pyridinyl]sulfonyl]piperidin-4-yl]butyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 157399723
6-[1-(pyridine-3-carbonyl)piperidin-4-yl]-1-thieno[2,3-c]pyridin-2-ylhexan-1-one
CID 148501492
N-[3-(1H-imidazol-2-yl)propyl]thieno[2,3-c]pyridine-2-carboxamide
CID 166343844
N-[[4-(8-azabicyclo[3.2.1]octan-8-ylsulfonyl)phenyl]methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 123840440

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide (CID 140651867) is N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is CN1C(C(=O)N2CCC(CCCCNC(=O)c3cc4ccncc4s3)CC2)CC2CCCCC21.
What is the InChIKey of N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
The InChIKey is SWMWMMSXKCKGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38N4O2S/c1-30-22-8-3-2-7-20(22)16-23(30)27(33)31-14-10-19(11-15-31)6-4-5-12-29-26(32)24-17-21-9-13-28-18-25(21)34-24/h9,13,17-20,22-23H,2-8,10-12,14-16H2,1H3,(H,29,32).
What are the key properties of N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide?
N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 482.69 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(1-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-2-carbonyl)piperidin-4-yl]butyl]thieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 140651867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).