(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone

C24H33N3O3 — CID 55956853

IUPAC(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)C3CCN(C(=O)N4CCCC4)CC3)CC2)cc1
InChIInChI=1S/C24H33N3O3/c1-18-4-6-19(7-5-18)22(28)20-8-14-25(15-9-20)23(29)21-10-16-27(17-11-21)24(30)26-12-2-3-13-26/h4-7,20-21H,2-3,8-17H2,1H3
InChIKeyITFRRNQGRMIHSN-UHFFFAOYSA-N
MW411.55 g/mol
LogP3.34
Rot. Bonds3

About (4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone

(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone (PubChem CID 55956853) has the molecular formula C24H33N3O3 and a molecular weight of 411.55 g/mol. Its IUPAC name is (4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone.

Molecular Properties

Compound Name(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
PubChem CID55956853
Molecular FormulaC24H33N3O3
Molecular Weight411.55 g/mol
Exact Mass411.25
IUPAC Name(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone
SMILESCc1ccc(C(=O)C2CCN(C(=O)C3CCN(C(=O)N4CCCC4)CC3)CC2)cc1
InChIInChI=1S/C24H33N3O3/c1-18-4-6-19(7-5-18)22(28)20-8-14-25(15-9-20)23(29)21-10-16-27(17-11-21)24(30)26-12-2-3-13-26/h4-7,20-21H,2-3,8-17H2,1H3
InChIKeyITFRRNQGRMIHSN-UHFFFAOYSA-N
XLogP3.34
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
[1-[(1S)-cyclohex-3-ene-1-carbonyl]piperidin-4-yl]-(4-methylphenyl)methanone
CID 94797927
(2,4-dimethylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidin-4-yl]methanone
CID 47055293
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 118775973
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
N-(4-chlorophenyl)-4-(4-methylbenzoyl)piperidine-1-carboxamide
CID 55874085
[1-[(4-methylphenyl)methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 883903
N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 60621992
(4-methylphenyl)-[1-(4-pyrrolidin-1-ylsulfonylbenzoyl)piperidin-4-yl]methanone
CID 55957097
[1-(1-methylcyclohexyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 21334076
methyl 1-[1-(4-methylbenzoyl)piperidine-3-carbonyl]piperidine-4-carboxylate
CID 47027047

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone?
The IUPAC name of (4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone (CID 55956853) is (4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone.
What is the SMILES notation for (4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone?
The canonical SMILES for (4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone is Cc1ccc(C(=O)C2CCN(C(=O)C3CCN(C(=O)N4CCCC4)CC3)CC2)cc1.
What is the InChIKey of (4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone?
The InChIKey is ITFRRNQGRMIHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O3/c1-18-4-6-19(7-5-18)22(28)20-8-14-25(15-9-20)23(29)21-10-16-27(17-11-21)24(30)26-12-2-3-13-26/h4-7,20-21H,2-3,8-17H2,1H3.
What are the key properties of (4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone?
(4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone has a molecular weight of 411.55 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[1-[1-(pyrrolidine-1-carbonyl)piperidine-4-carbonyl]piperidin-4-yl]methanone is sourced from PubChem (CID 55956853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).