2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide

C15H23N3O2 — CID 43186953

IUPAC2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCCC(CN)C1
InChIInChI=1S/C15H23N3O2/c1-20-14-7-3-2-6-13(14)17-15(19)11-18-8-4-5-12(9-16)10-18/h2-3,6-7,12H,4-5,8-11,16H2,1H3,(H,17,19)
InChIKeyYSMUWQSFXUJIPN-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.30
Rot. Bonds5

About 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 43186953) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID43186953
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CN1CCCC(CN)C1
InChIInChI=1S/C15H23N3O2/c1-20-14-7-3-2-6-13(14)17-15(19)11-18-8-4-5-12(9-16)10-18/h2-3,6-7,12H,4-5,8-11,16H2,1H3,(H,17,19)
InChIKeyYSMUWQSFXUJIPN-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 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 ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide;hydrochloride
CID 119915836
2-[(3S)-3-hydroxypiperidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 31478295
N-(2-methoxyphenyl)-2-[(3S)-3-methoxypiperidin-1-yl]acetamide
CID 124505947
N-(2-methoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919921
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-N-(2-methoxyphenyl)acetamide
CID 22194042
N-(2-methoxyphenyl)-2-[3-(piperidine-1-carbonyl)piperidin-1-yl]acetamide
CID 166601980
2-[3-(aminomethyl)piperidin-1-yl]-N-(3-methoxyphenyl)acetamide;hydrochloride
CID 119915580
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(2-ethoxyphenyl)acetamide;hydrochloride
CID 120728365
1-[2-(2-methoxyanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide
CID 86913235
2-[1-[2-(2-methoxyanilino)-2-oxoethyl]azetidin-3-yl]acetic acid
CID 64617921
2-[3-(hydroxymethyl)piperidin-1-yl]-N-(2-phenoxyphenyl)acetamide
CID 110877824
2-[3-(aminomethyl)pyrrolidin-1-yl]-N-(2-methylphenyl)acetamide;hydrochloride
CID 119918095

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 43186953) is 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CN1CCCC(CN)C1.
What is the InChIKey of 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is YSMUWQSFXUJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-14-7-3-2-6-13(14)17-15(19)11-18-8-4-5-12(9-16)10-18/h2-3,6-7,12H,4-5,8-11,16H2,1H3,(H,17,19).
What are the key properties of 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 277.37 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)piperidin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 43186953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).