4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide

C22H26N4O — CID 71095957

IUPAC4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide
SMILESCC1(N)CCN(c2cccc3c2cc(C(N)=O)n3Cc2ccccc2)CC1
InChIInChI=1S/C22H26N4O/c1-22(24)10-12-25(13-11-22)18-8-5-9-19-17(18)14-20(21(23)27)26(19)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15,24H2,1H3,(H2,23,27)
InChIKeyYWNFFZFUEZWNHM-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.11
Rot. Bonds4

About 4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide

4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide (PubChem CID 71095957) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide.

Molecular Properties

Compound Name4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide
PubChem CID71095957
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide
SMILESCC1(N)CCN(c2cccc3c2cc(C(N)=O)n3Cc2ccccc2)CC1
InChIInChI=1S/C22H26N4O/c1-22(24)10-12-25(13-11-22)18-8-5-9-19-17(18)14-20(21(23)27)26(19)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15,24H2,1H3,(H2,23,27)
InChIKeyYWNFFZFUEZWNHM-UHFFFAOYSA-N
XLogP3.11
TPSA77.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-carbamimidoylphenyl)methyl]-4-methylindole-2-carboxamide
CID 10946700
1-benzyl-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)indole
CID 139430880
1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide
CID 24953069
methyl 1-benzyl-4-hydroxyindole-2-carboxylate
CID 18522126
4-bromo-1-[(3-fluorophenyl)methyl]indole-2-carboxamide
CID 160918189
[4-[2-carbamoyl-1-[(3-fluorophenyl)methyl]indol-4-yl]piperidin-1-yl]-methylborinic acid
CID 59344916
1-[(3-fluorophenyl)methyl]-4-(1-methylpiperidin-4-yl)indole-2-carboxamide;hydrochloride
CID 68588020
(1-benzyl-4-butan-2-yloxyindol-2-yl)-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42666992
1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147406
methyl 1-benzyl-3-carbamoyl-4-piperazin-1-ylindole-2-carboxylate;hydrochloride
CID 68586967
9-[(4-methylsulfonylphenyl)methyl]carbazole-4-carboxamide
CID 174401073
4-methyl-1-(2-phenylacetyl)piperidine-4-carboxamide
CID 110097823

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide?
The IUPAC name of 4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide (CID 71095957) is 4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide.
What is the SMILES notation for 4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide?
The canonical SMILES for 4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide is CC1(N)CCN(c2cccc3c2cc(C(N)=O)n3Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide?
The InChIKey is YWNFFZFUEZWNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-22(24)10-12-25(13-11-22)18-8-5-9-19-17(18)14-20(21(23)27)26(19)15-16-6-3-2-4-7-16/h2-9,14H,10-13,15,24H2,1H3,(H2,23,27).
What are the key properties of 4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide?
4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-4-methylpiperidin-1-yl)-1-benzylindole-2-carboxamide is sourced from PubChem (CID 71095957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).