N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

C34H44N4O2 — CID 167099145

IUPACN-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc2nc(C(C)(C)C)cc(NC3CCC(NC(=O)C4CCN(C(=O)c5ccccc5C)CC4)CC3)c2c1
InChIInChI=1S/C34H44N4O2/c1-22-10-15-29-28(20-22)30(21-31(37-29)34(3,4)5)35-25-11-13-26(14-12-25)36-32(39)24-16-18-38(19-17-24)33(40)27-9-7-6-8-23(27)2/h6-10,15,20-21,24-26H,11-14,16-19H2,1-5H3,(H,35,37)(H,36,39)
InChIKeySYGKNIIYKIXNPK-UHFFFAOYSA-N
MW540.75 g/mol
LogP6.54
Rot. Bonds5

About N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide

N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (PubChem CID 167099145) has the molecular formula C34H44N4O2 and a molecular weight of 540.75 g/mol. Its IUPAC name is N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
PubChem CID167099145
Molecular FormulaC34H44N4O2
Molecular Weight540.75 g/mol
Exact Mass540.35
IUPAC NameN-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide
SMILESCc1ccc2nc(C(C)(C)C)cc(NC3CCC(NC(=O)C4CCN(C(=O)c5ccccc5C)CC4)CC3)c2c1
InChIInChI=1S/C34H44N4O2/c1-22-10-15-29-28(20-22)30(21-31(37-29)34(3,4)5)35-25-11-13-26(14-12-25)36-32(39)24-16-18-38(19-17-24)33(40)27-9-7-6-8-23(27)2/h6-10,15,20-21,24-26H,11-14,16-19H2,1-5H3,(H,35,37)(H,36,39)
InChIKeySYGKNIIYKIXNPK-UHFFFAOYSA-N
XLogP6.54
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.75
LogP ≤ 56.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide with MolForge

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Related Compounds

N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]furan-3-carboxamide
CID 167099451
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclobutanecarboxamide
CID 110820253
N-[1-(2-methylbenzoyl)piperidin-4-yl]cyclohexanecarboxamide
CID 51096408
N-(6-methyl-1,3-benzothiazol-2-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 2505907
N-[4-[(2-tert-butylquinolin-4-yl)amino]cyclohexyl]-1,5-dimethylpyrazole-3-carboxamide
CID 167099235
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-3-(1-fluoroethyl)-1,5-dimethylpyrazole-4-carboxamide
CID 167099552
4-(1,3-dioxoisoindol-2-yl)-N-[4-[[2-(2-fluoropropan-2-yl)-6-methylquinolin-4-yl]amino]cyclohexyl]butanamide
CID 167099517
2-[4-(cyclopropanecarbonylamino)piperidine-1-carbonyl]benzoic acid
CID 113083284
N-(5-tert-butyl-2-methoxyphenyl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 7935911
N-(2-methyl-1,3-benzothiazol-6-yl)-1-(2-methylbenzoyl)piperidine-4-carboxamide
CID 4782960
[2-(tert-butylamino)-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739854
2-chloro-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267255

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide (CID 167099145) is N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is Cc1ccc2nc(C(C)(C)C)cc(NC3CCC(NC(=O)C4CCN(C(=O)c5ccccc5C)CC4)CC3)c2c1.
What is the InChIKey of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
The InChIKey is SYGKNIIYKIXNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N4O2/c1-22-10-15-29-28(20-22)30(21-31(37-29)34(3,4)5)35-25-11-13-26(14-12-25)36-32(39)24-16-18-38(19-17-24)33(40)27-9-7-6-8-23(27)2/h6-10,15,20-21,24-26H,11-14,16-19H2,1-5H3,(H,35,37)(H,36,39).
What are the key properties of N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide?
N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide has a molecular weight of 540.75 g/mol, XLogP of 6.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-tert-butyl-6-methylquinolin-4-yl)amino]cyclohexyl]-1-(2-methylbenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 167099145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).