N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide

C30H39N3O — CID 145368993

IUPACN-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide
SMILESCCCCc1ccc(CNC(=O)c2ccc3c(c2)cc(CN2CCCC[C@H]2C)n3C2CC2)cc1
InChIInChI=1S/C30H39N3O/c1-3-4-8-23-9-11-24(12-10-23)20-31-30(34)25-13-16-29-26(18-25)19-28(33(29)27-14-15-27)21-32-17-6-5-7-22(32)2/h9-13,16,18-19,22,27H,3-8,14-15,17,20-21H2,1-2H3,(H,31,34)/t22-/m1/s1
InChIKeyKPLWDBOVHUTGAA-JOCHJYFZSA-N
MW457.66 g/mol
LogP6.62
Rot. Bonds9

About N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide

N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide (PubChem CID 145368993) has the molecular formula C30H39N3O and a molecular weight of 457.66 g/mol. Its IUPAC name is N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide
PubChem CID145368993
Molecular FormulaC30H39N3O
Molecular Weight457.66 g/mol
Exact Mass457.31
IUPAC NameN-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide
SMILESCCCCc1ccc(CNC(=O)c2ccc3c(c2)cc(CN2CCCC[C@H]2C)n3C2CC2)cc1
InChIInChI=1S/C30H39N3O/c1-3-4-8-23-9-11-24(12-10-23)20-31-30(34)25-13-16-29-26(18-25)19-28(33(29)27-14-15-27)21-32-17-6-5-7-22(32)2/h9-13,16,18-19,22,27H,3-8,14-15,17,20-21H2,1-2H3,(H,31,34)/t22-/m1/s1
InChIKeyKPLWDBOVHUTGAA-JOCHJYFZSA-N
XLogP6.62
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.66
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide with MolForge

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Related Compounds

1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[2-(trifluoromethyl)piperidin-1-yl]methyl]indole-5-carboxamide
CID 175130623
1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[(4-methylphenyl)methyl]indole-5-carboxamide
CID 130432710
4-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-3-nitrobenzamide
CID 46476101
1-cyclopentyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 130432922
1-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 86990673
3-(cyclopentylsulfamoyl)-4-methoxy-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 46475905
1-cyclopropyl-N-[(4-ethylsulfonylphenyl)methyl]-2-[[4-(trifluoromethyl)phenyl]methyl]indole-5-carboxamide
CID 126522242
2,4-difluoro-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]benzamide
CID 55708339
N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 46475812
N-[(4-butylphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide
CID 123663391
2-methyl-N-[[4-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86990672
N-[(4-ethylsulfanylphenyl)methyl]-2-[(4-methylpiperidin-1-yl)methyl]-1-propan-2-ylindole-5-carboxamide
CID 145369042

Frequently Asked Questions

What is the IUPAC name of N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide?
The IUPAC name of N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide (CID 145368993) is N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide.
What is the SMILES notation for N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide?
The canonical SMILES for N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide is CCCCc1ccc(CNC(=O)c2ccc3c(c2)cc(CN2CCCC[C@H]2C)n3C2CC2)cc1.
What is the InChIKey of N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide?
The InChIKey is KPLWDBOVHUTGAA-JOCHJYFZSA-N. The full InChI is InChI=1S/C30H39N3O/c1-3-4-8-23-9-11-24(12-10-23)20-31-30(34)25-13-16-29-26(18-25)19-28(33(29)27-14-15-27)21-32-17-6-5-7-22(32)2/h9-13,16,18-19,22,27H,3-8,14-15,17,20-21H2,1-2H3,(H,31,34)/t22-/m1/s1.
What are the key properties of N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide?
N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide has a molecular weight of 457.66 g/mol, XLogP of 6.62, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-butylphenyl)methyl]-1-cyclopropyl-2-[[(2R)-2-methylpiperidin-1-yl]methyl]indole-5-carboxamide is sourced from PubChem (CID 145368993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).