N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide

C31H35N5O2 — CID 22321792

IUPACN-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide
SMILESCN1CCC(N2CCN(C(=O)CN(C(=O)c3ccc4cc[nH]c4c3)c3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C31H35N5O2/c1-33-15-12-26(13-16-33)34-17-19-35(20-18-34)30(37)22-36(29-8-4-6-23-5-2-3-7-27(23)29)31(38)25-10-9-24-11-14-32-28(24)21-25/h2-11,14,21,26,32H,12-13,15-20,22H2,1H3
InChIKeyYBFNVKPFJJVSRI-UHFFFAOYSA-N
MW509.65 g/mol
LogP4.21
Rot. Bonds5

About N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide

N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide (PubChem CID 22321792) has the molecular formula C31H35N5O2 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide
PubChem CID22321792
Molecular FormulaC31H35N5O2
Molecular Weight509.65 g/mol
Exact Mass509.28
IUPAC NameN-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide
SMILESCN1CCC(N2CCN(C(=O)CN(C(=O)c3ccc4cc[nH]c4c3)c3cccc4ccccc34)CC2)CC1
InChIInChI=1S/C31H35N5O2/c1-33-15-12-26(13-16-33)34-17-19-35(20-18-34)30(37)22-36(29-8-4-6-23-5-2-3-7-27(23)29)31(38)25-10-9-24-11-14-32-28(24)21-25/h2-11,14,21,26,32H,12-13,15-20,22H2,1H3
InChIKeyYBFNVKPFJJVSRI-UHFFFAOYSA-N
XLogP4.21
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.65
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide?
The IUPAC name of N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide (CID 22321792) is N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide.
What is the SMILES notation for N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide?
The canonical SMILES for N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide is CN1CCC(N2CCN(C(=O)CN(C(=O)c3ccc4cc[nH]c4c3)c3cccc4ccccc34)CC2)CC1.
What is the InChIKey of N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide?
The InChIKey is YBFNVKPFJJVSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O2/c1-33-15-12-26(13-16-33)34-17-19-35(20-18-34)30(37)22-36(29-8-4-6-23-5-2-3-7-27(23)29)31(38)25-10-9-24-11-14-32-28(24)21-25/h2-11,14,21,26,32H,12-13,15-20,22H2,1H3.
What are the key properties of N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide?
N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide has a molecular weight of 509.65 g/mol, XLogP of 4.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]-2-oxoethyl]-N-naphthalen-1-yl-1H-indole-6-carboxamide is sourced from PubChem (CID 22321792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).