N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide

C26H26N4O2 — CID 53160128

IUPACN-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(c1cccc2c1CCN2C(=O)Nc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H26N4O2/c31-25(29-18-16-28(17-19-29)21-10-5-2-6-11-21)23-12-7-13-24-22(23)14-15-30(24)26(32)27-20-8-3-1-4-9-20/h1-13H,14-19H2,(H,27,32)
InChIKeyKQFQXZNTJAYSFZ-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.24
Rot. Bonds3

About N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide

N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide (PubChem CID 53160128) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide.

Molecular Properties

Compound NameN-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide
PubChem CID53160128
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC NameN-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide
SMILESO=C(c1cccc2c1CCN2C(=O)Nc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H26N4O2/c31-25(29-18-16-28(17-19-29)21-10-5-2-6-11-21)23-12-7-13-24-22(23)14-15-30(24)26(32)27-20-8-3-1-4-9-20/h1-13H,14-19H2,(H,27,32)
InChIKeyKQFQXZNTJAYSFZ-UHFFFAOYSA-N
XLogP4.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-phenyl-4-(4-phenylpiperazine-1-carbonyl)benzamide
CID 109048202
4-N-butyl-1-N-phenyl-2,3-dihydroindole-1,4-dicarboxamide
CID 53160123
1-N-phenyl-4-N-(2-thiophen-2-ylethyl)-2,3-dihydroindole-1,4-dicarboxamide
CID 53160126
2-[2-(4-phenylpiperazine-1-carbonyl)phenyl]isoindole-1,3-dione
CID 168517823
N-[4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]benzamide
CID 1056092
4-(2-bromophenyl)-N-phenylpiperazine-1-carboxamide
CID 113079371
4-hydroxyimino-N-phenyl-2,3-dihydroquinoline-1-carboxamide
CID 77033686
N-(3-methoxyphenyl)-4-phenylpiperazine-1-carboxamide
CID 6469276
5-morpholin-4-yl-N-phenyl-2,3-dihydroindole-1-carboxamide
CID 110316221
N-[4-(4-methylpiperazin-1-yl)phenyl]-4-phenylpiperazine-1-carboxamide
CID 108989553
1-[4-(piperidine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 53014569
(3-amino-2-hydroxyphenyl)-(4-phenylpiperazin-1-yl)methanone
CID 58736410

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide?
The IUPAC name of N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide (CID 53160128) is N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide.
What is the SMILES notation for N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide?
The canonical SMILES for N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide is O=C(c1cccc2c1CCN2C(=O)Nc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide?
The InChIKey is KQFQXZNTJAYSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c31-25(29-18-16-28(17-19-29)21-10-5-2-6-11-21)23-12-7-13-24-22(23)14-15-30(24)26(32)27-20-8-3-1-4-9-20/h1-13H,14-19H2,(H,27,32).
What are the key properties of N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide?
N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindole-1-carboxamide is sourced from PubChem (CID 53160128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).