(2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone

C25H35N3O3 — CID 47055293

IUPAC(2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)C3CCCN(C(=O)N4CCCC4)C3)CC2)c(C)c1
InChIInChI=1S/C25H35N3O3/c1-18-7-8-22(19(2)16-18)23(29)20-9-14-26(15-10-20)24(30)21-6-5-13-28(17-21)25(31)27-11-3-4-12-27/h7-8,16,20-21H,3-6,9-15,17H2,1-2H3
InChIKeyQHMQJLSPKKMNCJ-UHFFFAOYSA-N
MW425.57 g/mol
LogP3.65
Rot. Bonds3

About (2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone

(2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone (PubChem CID 47055293) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone
PubChem CID47055293
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name(2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)C3CCCN(C(=O)N4CCCC4)C3)CC2)c(C)c1
InChIInChI=1S/C25H35N3O3/c1-18-7-8-22(19(2)16-18)23(29)20-9-14-26(15-10-20)24(30)21-6-5-13-28(17-21)25(31)27-11-3-4-12-27/h7-8,16,20-21H,3-6,9-15,17H2,1-2H3
InChIKeyQHMQJLSPKKMNCJ-UHFFFAOYSA-N
XLogP3.65
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]ethanone
CID 82121250
(4R)-4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 31831854
cyclopentyl-(2,4-dimethylphenyl)methanone
CID 24724166
cyclobutyl-(2,4-dimethylphenyl)methanone
CID 24724130
4-[4-(2,4-dimethylbenzoyl)piperidine-1-carbonyl]piperidine-1-sulfonamide
CID 32601136
(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
CID 55956853
methyl 1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 47027047
2-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]acetic acid
CID 166208496
[1-(2,5-dimethylphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 49457529
ethyl (3R)-1-(2,4-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338523
(2,4-dimethylphenyl)-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 31826968
(2,4-dimethylphenyl)-pyrrolidin-1-ylmethanone
CID 925317

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone (CID 47055293) is (2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(C(=O)C3CCCN(C(=O)N4CCCC4)C3)CC2)c(C)c1.
What is the InChIKey of (2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone?
The InChIKey is QHMQJLSPKKMNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-18-7-8-22(19(2)16-18)23(29)20-9-14-26(15-10-20)24(30)21-6-5-13-28(17-21)25(31)27-11-3-4-12-27/h7-8,16,20-21H,3-6,9-15,17H2,1-2H3.
What are the key properties of (2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone?
(2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone has a molecular weight of 425.57 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 47055293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).