(2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide

C25H31ClN4O2 — CID 94853705

IUPAC(2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN1CCN(c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C25H31ClN4O2/c1-3-24(31)30-21-7-5-4-6-19(21)16-23(30)25(32)27-10-11-28-12-14-29(15-13-28)22-17-20(26)9-8-18(22)2/h4-9,17,23H,3,10-16H2,1-2H3,(H,27,32)/t23-/m1/s1
InChIKeyLHCKFYXDTGHCBT-HSZRJFAPSA-N
MW455.00 g/mol
LogP3.25
Rot. Bonds6

About (2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide

(2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide (PubChem CID 94853705) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is (2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
PubChem CID94853705
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC Name(2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
SMILESCCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN1CCN(c2cc(Cl)ccc2C)CC1
InChIInChI=1S/C25H31ClN4O2/c1-3-24(31)30-21-7-5-4-6-19(21)16-23(30)25(32)27-10-11-28-12-14-29(15-13-28)22-17-20(26)9-8-18(22)2/h4-9,17,23H,3,10-16H2,1-2H3,(H,27,32)/t23-/m1/s1
InChIKeyLHCKFYXDTGHCBT-HSZRJFAPSA-N
XLogP3.25
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propanoyl-N-[3-(4-propylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954539
N-(3-methylbutyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954495
N-(3-methoxypropyl)-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954507
1-acetyl-N-[3-(4-methylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 20954390
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954540
(2S)-1-acetyl-N-[3-(4-benzylpiperazin-1-yl)propyl]-2,3-dihydroindole-2-carboxamide
CID 92765074
N-[(4-methylsulfanylphenyl)methyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954542
1-[3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 22430304
2-(2-benzoylpyrrol-1-yl)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]acetamide
CID 20889265
N-cycloheptyl-1-propanoyl-2,3-dihydroindole-2-carboxamide
CID 20954482
1-benzoyl-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-2-carboxamide
CID 20954591
(2S)-1-acetyl-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-5-oxopyrrolidine-2-carboxamide
CID 25271329

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of (2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide (CID 94853705) is (2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for (2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide is CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCN1CCN(c2cc(Cl)ccc2C)CC1.
What is the InChIKey of (2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is LHCKFYXDTGHCBT-HSZRJFAPSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c1-3-24(31)30-21-7-5-4-6-19(21)16-23(30)25(32)27-10-11-28-12-14-29(15-13-28)22-17-20(26)9-8-18(22)2/h4-9,17,23H,3,10-16H2,1-2H3,(H,27,32)/t23-/m1/s1.
What are the key properties of (2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide?
(2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 455.00 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl]-1-propanoyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 94853705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).