N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide

C23H28ClN3O2 — CID 4541721

IUPACN-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCCC1
InChIInChI=1S/C23H28ClN3O2/c1-3-16(2)25-23(29)20-15-19(10-11-21(20)27-12-5-4-6-13-27)26-22(28)17-8-7-9-18(24)14-17/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeySCHLTXWIUIDVOM-UHFFFAOYSA-N
MW413.95 g/mol
LogP5.11
Rot. Bonds6

About N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide

N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide (PubChem CID 4541721) has the molecular formula C23H28ClN3O2 and a molecular weight of 413.95 g/mol. Its IUPAC name is N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide.

Molecular Properties

Compound NameN-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
PubChem CID4541721
Molecular FormulaC23H28ClN3O2
Molecular Weight413.95 g/mol
Exact Mass413.19
IUPAC NameN-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide
SMILESCCC(C)NC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCCC1
InChIInChI=1S/C23H28ClN3O2/c1-3-16(2)25-23(29)20-15-19(10-11-21(20)27-12-5-4-6-13-27)26-22(28)17-8-7-9-18(24)14-17/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,25,29)(H,26,28)
InChIKeySCHLTXWIUIDVOM-UHFFFAOYSA-N
XLogP5.11
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.95
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide?
The IUPAC name of N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide (CID 4541721) is N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide.
What is the SMILES notation for N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide?
The canonical SMILES for N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide is CCC(C)NC(=O)c1cc(NC(=O)c2cccc(Cl)c2)ccc1N1CCCCC1.
What is the InChIKey of N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide?
The InChIKey is SCHLTXWIUIDVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O2/c1-3-16(2)25-23(29)20-15-19(10-11-21(20)27-12-5-4-6-13-27)26-22(28)17-8-7-9-18(24)14-17/h7-11,14-16H,3-6,12-13H2,1-2H3,(H,25,29)(H,26,28).
What are the key properties of N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide?
N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide has a molecular weight of 413.95 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-[(3-chlorobenzoyl)amino]-2-piperidin-1-ylbenzamide is sourced from PubChem (CID 4541721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).