N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide

C34H42N6O3 — CID 23851812

IUPACN-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)NC3CCC(N)CC3)ccc2N2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C34H42N6O3/c1-34(2,3)26-7-4-23(5-8-26)31(41)38-29-22-25(32(42)37-28-11-9-27(35)10-12-28)6-13-30(29)39-18-20-40(21-19-39)33(43)24-14-16-36-17-15-24/h4-8,13-17,22,27-28H,9-12,18-21,35H2,1-3H3,(H,37,42)(H,38,41)
InChIKeyIFHXWCJODYYDNG-UHFFFAOYSA-N
MW582.75 g/mol
LogP4.59
Rot. Bonds6

About N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide

N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide (PubChem CID 23851812) has the molecular formula C34H42N6O3 and a molecular weight of 582.75 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide
PubChem CID23851812
Molecular FormulaC34H42N6O3
Molecular Weight582.75 g/mol
Exact Mass582.33
IUPAC NameN-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)NC3CCC(N)CC3)ccc2N2CCN(C(=O)c3ccncc3)CC2)cc1
InChIInChI=1S/C34H42N6O3/c1-34(2,3)26-7-4-23(5-8-26)31(41)38-29-22-25(32(42)37-28-11-9-27(35)10-12-28)6-13-30(29)39-18-20-40(21-19-39)33(43)24-14-16-36-17-15-24/h4-8,13-17,22,27-28H,9-12,18-21,35H2,1-3H3,(H,37,42)(H,38,41)
InChIKeyIFHXWCJODYYDNG-UHFFFAOYSA-N
XLogP4.59
TPSA120.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500582.75
LogP ≤ 54.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide with MolForge

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Related Compounds

N-(4-aminocyclohexyl)-4-(4-benzoyl-1,4-diazepan-1-yl)-3-[(3-methylbenzoyl)amino]benzamide
CID 23990654
methyl 4-[4-[(4-aminocyclohexyl)carbamoyl]-2-(pyridine-3-carbonylamino)phenyl]piperazine-1-carboxylate
CID 23934437
N-(4-aminocyclohexyl)-4-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-3-[(3-methylbenzoyl)amino]benzamide
CID 23827453
N-(4-aminocyclohexyl)-4-[4-(6-chloropyridine-3-carbonyl)piperazin-1-yl]-3-[(3-fluorobenzoyl)amino]benzamide
CID 23876141
N-(4-aminocyclohexyl)-4-[4-(4-fluorobenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide
CID 23828440
N-(4-aminocyclohexyl)-4-[4-(cyclobutanecarbonyl)piperazin-1-yl]-3-[(4-nitrobenzoyl)amino]benzamide
CID 23770565
N-(4-aminocyclohexyl)-4-[4-(4-cyanobenzoyl)piperazin-1-yl]-3-[(2-phenylacetyl)amino]benzamide
CID 23988858
4-tert-butyl-N-[2-[4-(4-tert-butylbenzoyl)-1,4-diazepan-1-yl]-5-(piperazine-1-carbonyl)phenyl]benzamide
CID 23882847
N-[5-[(4-aminocyclohexyl)carbamoyl]-2-[4-(cyclopropanecarbonyl)piperazin-1-yl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 23854951
N-(4-aminocyclohexyl)-4-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-[(3,4-dimethoxybenzoyl)amino]benzamide
CID 23907873
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
4-cyano-N-[5-(piperazine-1-carbonyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 23768522

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide?
The IUPAC name of N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide (CID 23851812) is N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide?
The canonical SMILES for N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)NC3CCC(N)CC3)ccc2N2CCN(C(=O)c3ccncc3)CC2)cc1.
What is the InChIKey of N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide?
The InChIKey is IFHXWCJODYYDNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N6O3/c1-34(2,3)26-7-4-23(5-8-26)31(41)38-29-22-25(32(42)37-28-11-9-27(35)10-12-28)6-13-30(29)39-18-20-40(21-19-39)33(43)24-14-16-36-17-15-24/h4-8,13-17,22,27-28H,9-12,18-21,35H2,1-3H3,(H,37,42)(H,38,41).
What are the key properties of N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide?
N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide has a molecular weight of 582.75 g/mol, XLogP of 4.59, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-3-[(4-tert-butylbenzoyl)amino]-4-[4-(pyridine-4-carbonyl)piperazin-1-yl]benzamide is sourced from PubChem (CID 23851812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).