N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide

C24H30ClN3O2 — CID 72703427

IUPACN-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-24(2,3)27-23(30)19-11-13-28(14-12-19)16-17-5-4-6-21(15-17)26-22(29)18-7-9-20(25)10-8-18/h4-10,15,19H,11-14,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyZHUNJCCNVRXBLL-UHFFFAOYSA-N
MW427.98 g/mol
LogP4.72
Rot. Bonds5

About N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide

N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide (PubChem CID 72703427) has the molecular formula C24H30ClN3O2 and a molecular weight of 427.98 g/mol. Its IUPAC name is N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
PubChem CID72703427
Molecular FormulaC24H30ClN3O2
Molecular Weight427.98 g/mol
Exact Mass427.20
IUPAC NameN-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide
SMILESCC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1
InChIInChI=1S/C24H30ClN3O2/c1-24(2,3)27-23(30)19-11-13-28(14-12-19)16-17-5-4-6-21(15-17)26-22(29)18-7-9-20(25)10-8-18/h4-10,15,19H,11-14,16H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyZHUNJCCNVRXBLL-UHFFFAOYSA-N
XLogP4.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.98
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide (CID 72703427) is N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide is CC(C)(C)NC(=O)C1CCN(Cc2cccc(NC(=O)c3ccc(Cl)cc3)c2)CC1.
What is the InChIKey of N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is ZHUNJCCNVRXBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClN3O2/c1-24(2,3)27-23(30)19-11-13-28(14-12-19)16-17-5-4-6-21(15-17)26-22(29)18-7-9-20(25)10-8-18/h4-10,15,19H,11-14,16H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide?
N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 427.98 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[[3-[(4-chlorobenzoyl)amino]phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 72703427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).