[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone

C25H34N4O2 — CID 93065582

IUPAC[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4[nH]c(C)cc4C)C3)CC2)c1
InChIInChI=1S/C25H34N4O2/c1-17-7-8-18(2)22(14-17)27-10-12-28(13-11-27)24(30)21-6-5-9-29(16-21)25(31)23-19(3)15-20(4)26-23/h7-8,14-15,21,26H,5-6,9-13,16H2,1-4H3/t21-/m1/s1
InChIKeyNMSOARAIEBWURD-OAQYLSRUSA-N
MW422.57 g/mol
LogP3.45
Rot. Bonds3

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone (PubChem CID 93065582) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
PubChem CID93065582
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
SMILESCc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4[nH]c(C)cc4C)C3)CC2)c1
InChIInChI=1S/C25H34N4O2/c1-17-7-8-18(2)22(14-17)27-10-12-28(13-11-27)24(30)21-6-5-9-29(16-21)25(31)23-19(3)15-20(4)26-23/h7-8,14-15,21,26H,5-6,9-13,16H2,1-4H3/t21-/m1/s1
InChIKeyNMSOARAIEBWURD-OAQYLSRUSA-N
XLogP3.45
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3-pyridin-3-yl-1H-pyrazole-5-carbonyl)piperidin-3-yl]methanone
CID 93069490
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(4-methylpiperidin-1-yl)sulfonylpiperidin-3-yl]methanone
CID 46276241
5-[3-[4-(2,5-dimethylphenyl)piperazine-1-carbonyl]piperidin-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione
CID 3243195
(1-cyclopropylpiperidin-4-yl)-[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
CID 138993514
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-(3-methylbutyl)piperidine-3-carboxamide
CID 53067329
(3,5-dimethyl-1H-pyrrol-2-yl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119491533
(3-chlorophenyl)-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone
CID 42288727
[(3S)-3-anilinopiperidin-1-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
CID 25275368
(3R)-1-[(3S)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidine-3-carboxylic acid
CID 94830850
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[[1-[(4-methylphenyl)methyl]piperidin-4-yl]methyl]piperidine-3-carboxamide
CID 53027630
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90514708
1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53067354

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone?
The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone (CID 93065582) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone.
What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone?
The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone is Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(C(=O)c4[nH]c(C)cc4C)C3)CC2)c1.
What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone?
The InChIKey is NMSOARAIEBWURD-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-17-7-8-18(2)22(14-17)27-10-12-28(13-11-27)24(30)21-6-5-9-29(16-21)25(31)23-19(3)15-20(4)26-23/h7-8,14-15,21,26H,5-6,9-13,16H2,1-4H3/t21-/m1/s1.
What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone?
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone has a molecular weight of 422.57 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[(3R)-1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-3-yl]methanone is sourced from PubChem (CID 93065582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).