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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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).