1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide

C27H26ClN3O3 — CID 55858769

IUPAC1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C27H26ClN3O3/c28-21-10-8-19(9-11-21)25(32)23-6-1-2-7-24(23)27(34)30-22-5-3-4-18(16-22)17-31-14-12-20(13-15-31)26(29)33/h1-11,16,20H,12-15,17H2,(H2,29,33)(H,30,34)
InChIKeyMZHJGDPVUUXJRQ-UHFFFAOYSA-N
MW475.98 g/mol
LogP4.52
Rot. Bonds7

About 1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide

1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 55858769) has the molecular formula C27H26ClN3O3 and a molecular weight of 475.98 g/mol. Its IUPAC name is 1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID55858769
Molecular FormulaC27H26ClN3O3
Molecular Weight475.98 g/mol
Exact Mass475.17
IUPAC Name1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cccc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C27H26ClN3O3/c28-21-10-8-19(9-11-21)25(32)23-6-1-2-7-24(23)27(34)30-22-5-3-4-18(16-22)17-31-14-12-20(13-15-31)26(29)33/h1-11,16,20H,12-15,17H2,(H2,29,33)(H,30,34)
InChIKeyMZHJGDPVUUXJRQ-UHFFFAOYSA-N
XLogP4.52
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[3-[(4-methylsulfanylbenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 78901666
1-[[3-[[4-(methoxymethyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768003
1-[[3-(thiophene-3-carbonylamino)phenyl]methyl]piperidine-4-carboxamide
CID 71941024
1-[[3-[[2-[2-(dimethylamino)ethoxy]benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55960659
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-6-ethoxypyridine-3-carboxamide
CID 87005424
1-[[3-[(1-benzyl-5-chloro-3-methylpyrazole-4-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 55768096
N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-5-chloro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 55801465
1-[[3-[[2-methyl-3-(methylamino)propanoyl]amino]phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119853105
2-(aminomethyl)-N-[3-[(4-carbamoylpiperidin-1-yl)methyl]phenyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119853111
2-fluoro-N-[3-[[4-(hydroxymethyl)piperidin-1-yl]methyl]phenyl]benzamide
CID 110921235
1-[[3-[[2-(6-chloro-3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]amino]phenyl]methyl]piperidine-4-carboxamide
CID 55858271
1-[[3-[(3-aminobicyclo[2.2.1]heptane-2-carbonyl)amino]phenyl]methyl]piperidine-4-carboxamide
CID 119853084

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide (CID 55858769) is 1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of 1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is MZHJGDPVUUXJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClN3O3/c28-21-10-8-19(9-11-21)25(32)23-6-1-2-7-24(23)27(34)30-22-5-3-4-18(16-22)17-31-14-12-20(13-15-31)26(29)33/h1-11,16,20H,12-15,17H2,(H2,29,33)(H,30,34).
What are the key properties of 1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide?
1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 475.98 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-(4-chlorobenzoyl)benzoyl]amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55858769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).