N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide

C15H21BrClN3O — CID 103815402

IUPACN-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cc(Br)ccc2Cl)C1
InChIInChI=1S/C15H21BrClN3O/c16-13-3-4-14(17)12(8-13)10-20-7-1-2-11(9-20)15(21)19-6-5-18/h3-4,8,11H,1-2,5-7,9-10,18H2,(H,19,21)
InChIKeyCQDQRWBVTHFOMZ-UHFFFAOYSA-N
MW374.71 g/mol
LogP2.39
Rot. Bonds5

About N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 103815402) has the molecular formula C15H21BrClN3O and a molecular weight of 374.71 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide
PubChem CID103815402
Molecular FormulaC15H21BrClN3O
Molecular Weight374.71 g/mol
Exact Mass373.06
IUPAC NameN-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(Cc2cc(Br)ccc2Cl)C1
InChIInChI=1S/C15H21BrClN3O/c16-13-3-4-14(17)12(8-13)10-20-7-1-2-11(9-20)15(21)19-6-5-18/h3-4,8,11H,1-2,5-7,9-10,18H2,(H,19,21)
InChIKeyCQDQRWBVTHFOMZ-UHFFFAOYSA-N
XLogP2.39
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide (CID 103815402) is N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(Cc2cc(Br)ccc2Cl)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is CQDQRWBVTHFOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClN3O/c16-13-3-4-14(17)12(8-13)10-20-7-1-2-11(9-20)15(21)19-6-5-18/h3-4,8,11H,1-2,5-7,9-10,18H2,(H,19,21).
What are the key properties of N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 374.71 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1-[(5-bromo-2-chlorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 103815402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).