1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide

C23H31N3O — CID 91800736

IUPAC1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC2(C(N)=O)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-22(2,3)19-9-11-20(12-10-19)25-23(21(24)27)13-15-26(16-14-23)17-18-7-5-4-6-8-18/h4-12,25H,13-17H2,1-3H3,(H2,24,27)
InChIKeyIRNRIGYVJDJHIK-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.92
Rot. Bonds5

About 1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide

1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide (PubChem CID 91800736) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide
PubChem CID91800736
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide
SMILESCC(C)(C)c1ccc(NC2(C(N)=O)CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H31N3O/c1-22(2,3)19-9-11-20(12-10-19)25-23(21(24)27)13-15-26(16-14-23)17-18-7-5-4-6-8-18/h4-12,25H,13-17H2,1-3H3,(H2,24,27)
InChIKeyIRNRIGYVJDJHIK-UHFFFAOYSA-N
XLogP3.92
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide?
The IUPAC name of 1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide (CID 91800736) is 1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide.
What is the SMILES notation for 1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide?
The canonical SMILES for 1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide is CC(C)(C)c1ccc(NC2(C(N)=O)CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of 1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide?
The InChIKey is IRNRIGYVJDJHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O/c1-22(2,3)19-9-11-20(12-10-19)25-23(21(24)27)13-15-26(16-14-23)17-18-7-5-4-6-8-18/h4-12,25H,13-17H2,1-3H3,(H2,24,27).
What are the key properties of 1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide?
1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide has a molecular weight of 365.52 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(4-tert-butylanilino)piperidine-4-carboxamide is sourced from PubChem (CID 91800736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).