1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

C15H23N3O2 — CID 16786895

IUPAC1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(N)CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-20-13-4-2-3-12(9-13)14(16)10-18-7-5-11(6-8-18)15(17)19/h2-4,9,11,14H,5-8,10,16H2,1H3,(H2,17,19)
InChIKeyFZWYERSJDUGTNV-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.89
Rot. Bonds5

About 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide

1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 16786895) 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-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID16786895
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCOc1cccc(C(N)CN2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C15H23N3O2/c1-20-13-4-2-3-12(9-13)14(16)10-18-7-5-11(6-8-18)15(17)19/h2-4,9,11,14H,5-8,10,16H2,1H3,(H2,17,19)
InChIKeyFZWYERSJDUGTNV-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-3-carboxamide
CID 16788275
1-(3-methoxyphenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 55249009
1-[3-(3-methoxyphenyl)butanoyl]piperidine-4-carboxamide
CID 110675703
1-(3-methoxyphenyl)-2-(3,4,5-trimethylpiperazin-1-yl)ethanamine
CID 114537738
4-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]cyclohexane-1-carboxamide
CID 81134804
1-[2-amino-2-(1,3-benzodioxol-5-yl)ethyl]piperidine-4-carboxamide
CID 16783727
methyl 1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]pyrrolidine-3-carboxylate
CID 78966764
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-1-(3-methoxyphenyl)ethanamine
CID 79938583
1-[2-amino-2-(2-ethoxyphenyl)ethyl]piperidine-4-carboxamide
CID 16783798
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822
2-[4-(3-methoxyphenyl)piperazin-1-yl]-1-phenylethanamine
CID 174368771
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide (CID 16786895) is 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide is COc1cccc(C(N)CN2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is FZWYERSJDUGTNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-13-4-2-3-12(9-13)14(16)10-18-7-5-11(6-8-18)15(17)19/h2-4,9,11,14H,5-8,10,16H2,1H3,(H2,17,19).
What are the key properties of 1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-carboxamide?
1-[2-amino-2-(3-methoxyphenyl)ethyl]piperidine-4-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-4-carboxamide is sourced from PubChem (CID 16786895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).