1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide

C15H23N3O2 — CID 16788275

IUPAC1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(N)CN2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C15H23N3O2/c1-20-13-6-2-4-11(8-13)14(16)10-18-7-3-5-12(9-18)15(17)19/h2,4,6,8,12,14H,3,5,7,9-10,16H2,1H3,(H2,17,19)
InChIKeyXWZGHTXGKKHTLG-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.89
Rot. Bonds5

About 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide

1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide (PubChem CID 16788275) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
PubChem CID16788275
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide
SMILESCOc1cccc(C(N)CN2CCCC(C(N)=O)C2)c1
InChIInChI=1S/C15H23N3O2/c1-20-13-6-2-4-11(8-13)14(16)10-18-7-3-5-12(9-18)15(17)19/h2,4,6,8,12,14H,3,5,7,9-10,16H2,1H3,(H2,17,19)
InChIKeyXWZGHTXGKKHTLG-UHFFFAOYSA-N
XLogP0.89
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16786895
1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55249009
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 79938583
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 103670655
(3S)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458131
(3R)-1-(2,2-diphenylethyl)piperidine-3-carboxamide
CID 26458129
1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537738
2-[3-(1-aminoethyl)piperidin-1-yl]-1-(3-methoxyphenyl)ethanol
CID 81134246
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(3-methoxyphenyl)ethanamine
CID 65320749
1-[2-amino-2-(5-methylfuran-2-yl)ethyl]piperidine-3-carboxamide
CID 16794425
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide (CID 16788275) is 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide is COc1cccc(C(N)CN2CCCC(C(N)=O)C2)c1.
What is the InChIKey of 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide?
The InChIKey is XWZGHTXGKKHTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-13-6-2-4-11(8-13)14(16)10-18-7-3-5-12(9-18)15(17)19/h2,4,6,8,12,14H,3,5,7,9-10,16H2,1H3,(H2,17,19).
What are the key properties of 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide?
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide has a molecular weight of 277.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 16788275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).