1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide

C22H26N4O — CID 54311318

IUPAC1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2n1N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C22H26N4O/c1-17(18-8-4-3-5-9-18)23-22(27)21-16-19-10-6-7-11-20(19)26(21)25-14-12-24(2)13-15-25/h3-11,16-17H,12-15H2,1-2H3,(H,23,27)/t17-/m1/s1
InChIKeySLBUPYBANDKIRA-QGZVFWFLSA-N
MW362.48 g/mol
LogP3.02
Rot. Bonds4

About 1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide

1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide (PubChem CID 54311318) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide
PubChem CID54311318
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccccc2n1N1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C22H26N4O/c1-17(18-8-4-3-5-9-18)23-22(27)21-16-19-10-6-7-11-20(19)26(21)25-14-12-24(2)13-15-25/h3-11,16-17H,12-15H2,1-2H3,(H,23,27)/t17-/m1/s1
InChIKeySLBUPYBANDKIRA-QGZVFWFLSA-N
XLogP3.02
TPSA40.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide (CID 54311318) is 1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide is C[C@@H](NC(=O)c1cc2ccccc2n1N1CCN(C)CC1)c1ccccc1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide?
The InChIKey is SLBUPYBANDKIRA-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H26N4O/c1-17(18-8-4-3-5-9-18)23-22(27)21-16-19-10-6-7-11-20(19)26(21)25-14-12-24(2)13-15-25/h3-11,16-17H,12-15H2,1-2H3,(H,23,27)/t17-/m1/s1.
What are the key properties of 1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide?
1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide has a molecular weight of 362.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-N-[(1R)-1-phenylethyl]indole-2-carboxamide is sourced from PubChem (CID 54311318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).