methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate

C27H35N3O4 — CID 171623747

IUPACmethyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate
SMILESCCC(=O)N1CCCC(Nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2C(=O)OC)C1
InChIInChI=1S/C27H35N3O4/c1-6-24(31)30-15-7-8-21(17-30)28-23-16-20(13-14-22(23)26(33)34-5)29-25(32)18-9-11-19(12-10-18)27(2,3)4/h9-14,16,21,28H,6-8,15,17H2,1-5H3,(H,29,32)
InChIKeyRCKHYEJZQXKTBC-UHFFFAOYSA-N
MW465.59 g/mol
LogP4.84
Rot. Bonds6

About methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate

methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate (PubChem CID 171623747) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate
PubChem CID171623747
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC Namemethyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate
SMILESCCC(=O)N1CCCC(Nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2C(=O)OC)C1
InChIInChI=1S/C27H35N3O4/c1-6-24(31)30-15-7-8-21(17-30)28-23-16-20(13-14-22(23)26(33)34-5)29-25(32)18-9-11-19(12-10-18)27(2,3)4/h9-14,16,21,28H,6-8,15,17H2,1-5H3,(H,29,32)
InChIKeyRCKHYEJZQXKTBC-UHFFFAOYSA-N
XLogP4.84
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.59
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate with MolForge

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Related Compounds

methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-methylpiperidin-3-yl)amino]benzoate
CID 171623786
methyl 2-[[1-(1-adamantylcarbamoyl)piperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzoate
CID 171623769
3-[5-[(4-tert-butylbenzoyl)amino]-2-carbamoylanilino]-N-(4-iodophenyl)piperidine-1-carboxamide
CID 171623705
2-[[1-(4-acetylphenyl)sulfonylpiperidin-3-yl]amino]-4-[(4-tert-butylbenzoyl)amino]benzamide
CID 171623783
methyl 2-[[3-(4-methoxyanilino)piperidine-1-carbonyl]amino]benzoate
CID 45227955
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
methyl 4-[3-(3,4-difluoroanilino)piperidine-1-carbonyl]benzoate
CID 24793090
N-(4-tert-butylphenyl)-3-(methoxymethyl)piperidine-1-carboxamide
CID 90505505
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835196
4-[[3-[[(3R)-1-propanoylpyrrolidin-3-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]amino]-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623160
methyl 2-fluoro-3-[(3S)-1-propanoylpiperidin-3-yl]benzoate
CID 176578685

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate?
The IUPAC name of methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate (CID 171623747) is methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate.
What is the SMILES notation for methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate?
The canonical SMILES for methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate is CCC(=O)N1CCCC(Nc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2C(=O)OC)C1.
What is the InChIKey of methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate?
The InChIKey is RCKHYEJZQXKTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O4/c1-6-24(31)30-15-7-8-21(17-30)28-23-16-20(13-14-22(23)26(33)34-5)29-25(32)18-9-11-19(12-10-18)27(2,3)4/h9-14,16,21,28H,6-8,15,17H2,1-5H3,(H,29,32).
What are the key properties of methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate?
methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate has a molecular weight of 465.59 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-tert-butylbenzoyl)amino]-2-[(1-propanoylpiperidin-3-yl)amino]benzoate is sourced from PubChem (CID 171623747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).