4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide

C22H26N4O — CID 53209823

IUPAC4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(Cc3cn(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N4O/c1-17-7-9-19(10-8-17)23-22(27)26-13-11-25(12-14-26)16-18-15-24(2)21-6-4-3-5-20(18)21/h3-10,15H,11-14,16H2,1-2H3,(H,23,27)
InChIKeyCOKFJBWMYIFBKG-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.84
Rot. Bonds3

About 4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide

4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide (PubChem CID 53209823) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
PubChem CID53209823
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCN(Cc3cn(C)c4ccccc34)CC2)cc1
InChIInChI=1S/C22H26N4O/c1-17-7-9-19(10-8-17)23-22(27)26-13-11-25(12-14-26)16-18-15-24(2)21-6-4-3-5-20(18)21/h3-10,15H,11-14,16H2,1-2H3,(H,23,27)
InChIKeyCOKFJBWMYIFBKG-UHFFFAOYSA-N
XLogP3.84
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
N-(4-methylphenyl)-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 17184500
N-(4-methylphenyl)-4-pentylpiperazine-1-carboxamide
CID 17184975
4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 46364540
4-[(1-methylindol-3-yl)methyl]morpholine
CID 15496284
N-(4-chlorophenyl)-4-[(2-chlorophenyl)methyl]piperazine-1-carboxamide
CID 19293497
1-N-methyl-4-N-(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 23990210
4-[2-(4-methylphenoxy)ethyl]-N-phenylpiperazine-1-carboxamide
CID 110638151
N-(3-fluoro-4-methylphenyl)-4-(naphthalen-1-ylmethyl)piperazine-1-carboxamide
CID 17087632
4-[2-(4-chlorophenyl)ethyl]-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113109898
N-(4-chlorophenyl)-4-(1H-indol-3-ylmethyl)piperazine-1-carboxamide
CID 110397485
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of 4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide (CID 53209823) is 4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for 4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for 4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide is Cc1ccc(NC(=O)N2CCN(Cc3cn(C)c4ccccc34)CC2)cc1.
What is the InChIKey of 4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
The InChIKey is COKFJBWMYIFBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17-7-9-19(10-8-17)23-22(27)26-13-11-25(12-14-26)16-18-15-24(2)21-6-4-3-5-20(18)21/h3-10,15H,11-14,16H2,1-2H3,(H,23,27).
What are the key properties of 4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide?
4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylindol-3-yl)methyl]-N-(4-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 53209823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).