N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide

C30H41N3O2 — CID 23909766

IUPACN-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C3CCN(C(=O)Nc4c(C)cccc4C(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C30H41N3O2/c1-21-9-11-25(12-10-21)28(34)32-17-13-23(14-18-32)24-15-19-33(20-16-24)29(35)31-27-22(2)7-6-8-26(27)30(3,4)5/h6-12,23-24H,13-20H2,1-5H3,(H,31,35)
InChIKeyMFYADCXEFLLCGN-UHFFFAOYSA-N
MW475.68 g/mol
LogP6.40
Rot. Bonds3

About N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide

N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide (PubChem CID 23909766) has the molecular formula C30H41N3O2 and a molecular weight of 475.68 g/mol. Its IUPAC name is N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide
PubChem CID23909766
Molecular FormulaC30H41N3O2
Molecular Weight475.68 g/mol
Exact Mass475.32
IUPAC NameN-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide
SMILESCc1ccc(C(=O)N2CCC(C3CCN(C(=O)Nc4c(C)cccc4C(C)(C)C)CC3)CC2)cc1
InChIInChI=1S/C30H41N3O2/c1-21-9-11-25(12-10-21)28(34)32-17-13-23(14-18-32)24-15-19-33(20-16-24)29(35)31-27-22(2)7-6-8-26(27)30(3,4)5/h6-12,23-24H,13-20H2,1-5H3,(H,31,35)
InChIKeyMFYADCXEFLLCGN-UHFFFAOYSA-N
XLogP6.40
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.68
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-methylbenzoyl)piperidin-4-yl]-N-(2,4,4-trimethylpentan-2-yl)piperidine-1-carboxamide
CID 3796209
N-(2-tert-butyl-6-methylphenyl)-3-(4-methylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 69323897
N-(2-ethyl-6-methylphenyl)-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 113006739
N-(2,6-dimethylphenyl)-4-[4-(pyridin-4-ylamino)benzoyl]piperazine-1-carboxamide
CID 23582885
N-(2-tert-butyl-6-methylphenyl)-4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carboxamide
CID 23742090
(4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 723102
4-(4-chlorobenzoyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 55560081
4-benzamido-N-(2,6-dimethylphenyl)piperidine-1-carboxamide
CID 43814093
[1-(4-methylbenzoyl)piperidin-4-yl]-(4-methylphenyl)methanone
CID 2741000
4-benzoyl-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperazine-1-carboxamide
CID 60546042
N-(2,6-dimethylphenyl)-4-(1-methylsulfonylpiperidin-4-yl)oxypiperidine-1-carboxamide
CID 91906267
N-(2,6-dimethylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113006519

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide (CID 23909766) is N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide is Cc1ccc(C(=O)N2CCC(C3CCN(C(=O)Nc4c(C)cccc4C(C)(C)C)CC3)CC2)cc1.
What is the InChIKey of N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide?
The InChIKey is MFYADCXEFLLCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N3O2/c1-21-9-11-25(12-10-21)28(34)32-17-13-23(14-18-32)24-15-19-33(20-16-24)29(35)31-27-22(2)7-6-8-26(27)30(3,4)5/h6-12,23-24H,13-20H2,1-5H3,(H,31,35).
What are the key properties of N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide?
N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide has a molecular weight of 475.68 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-6-methylphenyl)-4-[1-(4-methylbenzoyl)piperidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 23909766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).