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

C27H33N5O2 — CID 91340383

IUPACN-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide
SMILESCN1CCCCC1N1CCN(C(=O)CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2)CC1
InChIInChI=1S/C27H33N5O2/c1-29-14-6-5-9-25(29)30-15-17-31(18-16-30)26(33)20-32(23-7-3-2-4-8-23)27(34)22-11-10-21-12-13-28-24(21)19-22/h2-4,7-8,10-13,19,25,28H,5-6,9,14-18,20H2,1H3
InChIKeyYZPWJFWVOUJCOD-UHFFFAOYSA-N
MW459.59 g/mol
LogP3.40
Rot. Bonds5

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

N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide (PubChem CID 91340383) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide
PubChem CID91340383
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC NameN-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide
SMILESCN1CCCCC1N1CCN(C(=O)CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2)CC1
InChIInChI=1S/C27H33N5O2/c1-29-14-6-5-9-25(29)30-15-17-31(18-16-30)26(33)20-32(23-7-3-2-4-8-23)27(34)22-11-10-21-12-13-28-24(21)19-22/h2-4,7-8,10-13,19,25,28H,5-6,9,14-18,20H2,1H3
InChIKeyYZPWJFWVOUJCOD-UHFFFAOYSA-N
XLogP3.40
TPSA62.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.59
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-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-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide?
The IUPAC name of N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide (CID 91340383) is N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide.
What is the SMILES notation for N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide?
The canonical SMILES for N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide is CN1CCCCC1N1CCN(C(=O)CN(C(=O)c2ccc3cc[nH]c3c2)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide?
The InChIKey is YZPWJFWVOUJCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-29-14-6-5-9-25(29)30-15-17-31(18-16-30)26(33)20-32(23-7-3-2-4-8-23)27(34)22-11-10-21-12-13-28-24(21)19-22/h2-4,7-8,10-13,19,25,28H,5-6,9,14-18,20H2,1H3.
What are the key properties of N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide?
N-[2-[4-(1-methylpiperidin-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide has a molecular weight of 459.59 g/mol, XLogP of 3.40, 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-2-yl)piperazin-1-yl]-2-oxoethyl]-N-phenyl-1H-indole-6-carboxamide is sourced from PubChem (CID 91340383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).