4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide

C14H20BrN3O — CID 81292473

IUPAC4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide
SMILESCCc1cc(Br)ccc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C14H20BrN3O/c1-2-10-9-11(15)3-4-13(10)17-12-5-7-18(8-6-12)14(16)19/h3-4,9,12,17H,2,5-8H2,1H3,(H2,16,19)
InChIKeyDDLNTSCZMRPDIL-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.97
Rot. Bonds3

About 4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide

4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide (PubChem CID 81292473) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide
PubChem CID81292473
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide
SMILESCCc1cc(Br)ccc1NC1CCN(C(N)=O)CC1
InChIInChI=1S/C14H20BrN3O/c1-2-10-9-11(15)3-4-13(10)17-12-5-7-18(8-6-12)14(16)19/h3-4,9,12,17H,2,5-8H2,1H3,(H2,16,19)
InChIKeyDDLNTSCZMRPDIL-UHFFFAOYSA-N
XLogP2.97
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide?
The IUPAC name of 4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide (CID 81292473) is 4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide.
What is the SMILES notation for 4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide?
The canonical SMILES for 4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide is CCc1cc(Br)ccc1NC1CCN(C(N)=O)CC1.
What is the InChIKey of 4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide?
The InChIKey is DDLNTSCZMRPDIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-2-10-9-11(15)3-4-13(10)17-12-5-7-18(8-6-12)14(16)19/h3-4,9,12,17H,2,5-8H2,1H3,(H2,16,19).
What are the key properties of 4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide?
4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-2-ethylanilino)piperidine-1-carboxamide is sourced from PubChem (CID 81292473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).