4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide

C14H20BrN3O — CID 54892029

IUPAC4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide
SMILESCCN1CCC(Nc2ccccc2Br)(C(N)=O)CC1
InChIInChI=1S/C14H20BrN3O/c1-2-18-9-7-14(8-10-18,13(16)19)17-12-6-4-3-5-11(12)15/h3-6,17H,2,7-10H2,1H3,(H2,16,19)
InChIKeyJHSWPEVJZLTKCF-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.20
Rot. Bonds4

About 4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide

4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide (PubChem CID 54892029) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide
PubChem CID54892029
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide
SMILESCCN1CCC(Nc2ccccc2Br)(C(N)=O)CC1
InChIInChI=1S/C14H20BrN3O/c1-2-18-9-7-14(8-10-18,13(16)19)17-12-6-4-3-5-11(12)15/h3-6,17H,2,7-10H2,1H3,(H2,16,19)
InChIKeyJHSWPEVJZLTKCF-UHFFFAOYSA-N
XLogP2.20
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-bromoanilino)-1-ethylazepane-4-carboxamide
CID 65076343
4-(2-bromoanilino)-1-ethylazepane-4-carboxylic acid
CID 65075905
1-(2-bromoanilino)cycloheptane-1-carboxamide
CID 54891882
4-(2-bromoanilino)-1-propan-2-ylazepane-4-carboxamide
CID 65076342
8-(2-bromoanilino)-1,4-dioxaspiro[4.5]decane-8-carboxamide
CID 61006229
ethyl 1-(2-bromoanilino)cyclobutane-1-carboxylate
CID 62389465
1-(2-bromoanilino)-4-methoxycyclohexane-1-carboxamide
CID 113414494
3-(2-bromoanilino)-1,1-dioxothiolane-3-carboxamide
CID 63166117
ethyl 3-(2-bromoanilino)-1-cyclopropylpyrrolidine-3-carboxylate
CID 62976964
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
1-(2-bromoanilino)-3,5-dimethylcyclohexane-1-carboxamide
CID 64750715
ethyl 1-(2-bromoanilino)-3-methylcyclobutane-1-carboxylate
CID 103563478

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide?
The IUPAC name of 4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide (CID 54892029) is 4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide.
What is the SMILES notation for 4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide?
The canonical SMILES for 4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide is CCN1CCC(Nc2ccccc2Br)(C(N)=O)CC1.
What is the InChIKey of 4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide?
The InChIKey is JHSWPEVJZLTKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-2-18-9-7-14(8-10-18,13(16)19)17-12-6-4-3-5-11(12)15/h3-6,17H,2,7-10H2,1H3,(H2,16,19).
What are the key properties of 4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide?
4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoanilino)-1-ethylpiperidine-4-carboxamide is sourced from PubChem (CID 54892029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).