N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide

C18H24BrN3O2 — CID 119481407

IUPACN-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C18H24BrN3O2/c19-15-5-3-14(4-6-15)18(7-8-18)17(24)22-11-1-2-13(12-22)16(23)21-10-9-20/h3-6,13H,1-2,7-12,20H2,(H,21,23)
InChIKeyYAZWVTZSECVNRQ-UHFFFAOYSA-N
MW394.31 g/mol
LogP1.79
Rot. Bonds5

About N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide

N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide (PubChem CID 119481407) has the molecular formula C18H24BrN3O2 and a molecular weight of 394.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
PubChem CID119481407
Molecular FormulaC18H24BrN3O2
Molecular Weight394.31 g/mol
Exact Mass393.11
IUPAC NameN-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide
SMILESNCCNC(=O)C1CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)C1
InChIInChI=1S/C18H24BrN3O2/c19-15-5-3-14(4-6-15)18(7-8-18)17(24)22-11-1-2-13(12-22)16(23)21-10-9-20/h3-6,13H,1-2,7-12,20H2,(H,21,23)
InChIKeyYAZWVTZSECVNRQ-UHFFFAOYSA-N
XLogP1.79
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.31
LogP ≤ 51.79
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-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide (CID 119481407) is N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide is NCCNC(=O)C1CCCN(C(=O)C2(c3ccc(Br)cc3)CC2)C1.
What is the InChIKey of N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
The InChIKey is YAZWVTZSECVNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BrN3O2/c19-15-5-3-14(4-6-15)18(7-8-18)17(24)22-11-1-2-13(12-22)16(23)21-10-9-20/h3-6,13H,1-2,7-12,20H2,(H,21,23).
What are the key properties of N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide?
N-(2-aminoethyl)-1-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide has a molecular weight of 394.31 g/mol, XLogP of 1.79, 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-[1-(4-bromophenyl)cyclopropanecarbonyl]piperidine-3-carboxamide is sourced from PubChem (CID 119481407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).