1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide

C14H22BrN3OS — CID 103194737

IUPAC1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(c2cc(Br)cs2)C(C)N)C1
InChIInChI=1S/C14H22BrN3OS/c1-9(16)13(12-6-11(15)8-20-12)18-5-3-4-10(7-18)14(19)17-2/h6,8-10,13H,3-5,7,16H2,1-2H3,(H,17,19)
InChIKeyLEZYHZYYYJWGGK-UHFFFAOYSA-N
MW360.32 g/mol
LogP2.36
Rot. Bonds4

About 1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide

1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide (PubChem CID 103194737) has the molecular formula C14H22BrN3OS and a molecular weight of 360.32 g/mol. Its IUPAC name is 1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide
PubChem CID103194737
Molecular FormulaC14H22BrN3OS
Molecular Weight360.32 g/mol
Exact Mass359.07
IUPAC Name1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide
SMILESCNC(=O)C1CCCN(C(c2cc(Br)cs2)C(C)N)C1
InChIInChI=1S/C14H22BrN3OS/c1-9(16)13(12-6-11(15)8-20-12)18-5-3-4-10(7-18)14(19)17-2/h6,8-10,13H,3-5,7,16H2,1-2H3,(H,17,19)
InChIKeyLEZYHZYYYJWGGK-UHFFFAOYSA-N
XLogP2.36
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-1-(3-bromophenyl)propyl]-N-methylpiperidine-3-carboxamide
CID 103194675
1-[2-amino-1-(3-bromophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194669
2-[4-[2-amino-1-(4-bromothiophen-2-yl)propyl]-1,4-diazepan-1-yl]ethanol
CID 107214147
4-[2-amino-1-(4-bromothiophen-2-yl)propyl]morpholine-2-carbonitrile
CID 79674686
1-[2-amino-1-(3-methylthiophen-2-yl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194728
1-(2-amino-1-pyridin-3-ylbutyl)-N-methylpiperidine-3-carboxamide
CID 103194726
1-(2-amino-5-bromobenzoyl)-N-methylpiperidine-3-carboxamide
CID 103197103
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-3-carboxamide
CID 103196774
1-[2-amino-1-(3-methylphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103194646
1-[2-amino-1-(4-bromothiophen-2-yl)butyl]pyrrolidin-3-ol
CID 62941141
1-[4-[(1R)-1-aminoethyl]-2-chlorophenyl]-N-methylpiperidine-3-carboxamide
CID 103196348
[4-[2-amino-1-(4-bromothiophen-2-yl)propyl]-6-methylmorpholin-2-yl]methanol
CID 102932204

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide (CID 103194737) is 1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide is CNC(=O)C1CCCN(C(c2cc(Br)cs2)C(C)N)C1.
What is the InChIKey of 1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is LEZYHZYYYJWGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3OS/c1-9(16)13(12-6-11(15)8-20-12)18-5-3-4-10(7-18)14(19)17-2/h6,8-10,13H,3-5,7,16H2,1-2H3,(H,17,19).
What are the key properties of 1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide?
1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 360.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-bromothiophen-2-yl)propyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 103194737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).