[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone

C13H18N2O2 — CID 129366272

IUPAC[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC[C@H](N)C1
InChIInChI=1S/C13H18N2O2/c1-17-12-7-3-2-6-11(12)13(16)15-8-4-5-10(14)9-15/h2-3,6-7,10H,4-5,8-9,14H2,1H3/t10-/m0/s1
InChIKeyNAOPNAFOWPVUFS-JTQLQIEISA-N
MW234.30 g/mol
LogP1.26
Rot. Bonds2

About [(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone

[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone (PubChem CID 129366272) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is [(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
PubChem CID129366272
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone
SMILESCOc1ccccc1C(=O)N1CCC[C@H](N)C1
InChIInChI=1S/C13H18N2O2/c1-17-12-7-3-2-6-11(12)13(16)15-8-4-5-10(14)9-15/h2-3,6-7,10H,4-5,8-9,14H2,1H3/t10-/m0/s1
InChIKeyNAOPNAFOWPVUFS-JTQLQIEISA-N
XLogP1.26
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-aminopiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119381351
(3-bromopiperidin-1-yl)-(2-methoxyphenyl)methanone
CID 80660088
1-(3-aminopiperidin-1-yl)-3-(2-methoxyphenyl)but-2-en-1-one
CID 126784976
2-(3-aminopiperidine-1-carbonyl)benzoic acid
CID 61403703
(3-aminopiperidin-1-yl)-(5-chloro-2-methoxyphenyl)methanone;hydrochloride
CID 119380845
(2-methoxyphenyl) 3-aminopiperidine-1-carboxylate
CID 116819357
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 129367623
(3-aminopiperidin-1-yl)-(2-prop-2-enoxyphenyl)methanone;hydrochloride
CID 119381620
[(3S)-3-aminopiperidin-1-yl]-[2-(2,2,2-trifluoroethoxy)phenyl]methanone;hydrochloride
CID 166451673
N-[[(3R)-1-(2-methoxybenzoyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 95295492
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxyphenyl)methanone
CID 10560934
(4-amino-3-methylpiperidin-1-yl)-(2-methoxyphenyl)methanone;hydrochloride
CID 119592557

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of [(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone (CID 129366272) is [(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for [(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for [(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone is COc1ccccc1C(=O)N1CCC[C@H](N)C1.
What is the InChIKey of [(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone?
The InChIKey is NAOPNAFOWPVUFS-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N2O2/c1-17-12-7-3-2-6-11(12)13(16)15-8-4-5-10(14)9-15/h2-3,6-7,10H,4-5,8-9,14H2,1H3/t10-/m0/s1.
What are the key properties of [(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone?
[(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone has a molecular weight of 234.30 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-aminopiperidin-1-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 129366272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).