4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide

C21H24N4O — CID 11703005

IUPAC4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESCn1ccc2cc(CN3CCN(C(=O)Nc4ccccc4)CC3)ccc21
InChIInChI=1S/C21H24N4O/c1-23-10-9-18-15-17(7-8-20(18)23)16-24-11-13-25(14-12-24)21(26)22-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3,(H,22,26)
InChIKeyNUQGIOPLCURAIP-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.53
Rot. Bonds3

About 4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide

4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 11703005) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide
PubChem CID11703005
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide
SMILESCn1ccc2cc(CN3CCN(C(=O)Nc4ccccc4)CC3)ccc21
InChIInChI=1S/C21H24N4O/c1-23-10-9-18-15-17(7-8-20(18)23)16-24-11-13-25(14-12-24)21(26)22-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3,(H,22,26)
InChIKeyNUQGIOPLCURAIP-UHFFFAOYSA-N
XLogP3.53
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-methylindol-5-yl)sulfonyl-N-phenylpiperazine-1-carboxamide
CID 50744365
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
4-benzyl-N-(4-ethylphenyl)piperazine-1-carboxamide
CID 6470727
N-phenyl-4-propylpiperazine-1-carboxamide
CID 17383007
4-(2,2-dimethylpropyl)-N-phenylpiperazine-1-carboxamide
CID 110290716
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 67037713
4-benzyl-N-[4-(dimethylamino)phenyl]piperazine-1-carboxamide
CID 108894755
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 67037712
methyl 4-[(4-benzylpiperazine-1-carbonyl)amino]benzoate
CID 47039900
3-[[4-[(3-methylphenyl)carbamoyl]piperazin-1-yl]methyl]benzoic acid
CID 122028905
4-benzyl-N-[4-(2-morpholin-4-ylethyl)phenyl]piperazine-1-carboxamide
CID 60545892
4-(3-methylbutyl)-N-phenylpiperazine-1-carboxamide
CID 17183789

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide (CID 11703005) is 4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide is Cn1ccc2cc(CN3CCN(C(=O)Nc4ccccc4)CC3)ccc21.
What is the InChIKey of 4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is NUQGIOPLCURAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-23-10-9-18-15-17(7-8-20(18)23)16-24-11-13-25(14-12-24)21(26)22-19-5-3-2-4-6-19/h2-10,15H,11-14,16H2,1H3,(H,22,26).
What are the key properties of 4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide?
4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylindol-5-yl)methyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 11703005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).