4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide

C15H21N3O2 — CID 124696949

IUPAC4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
SMILESC[C@H]1CCCN(C(=O)c2ccc(C(N)=O)cc2)[C@H]1CN
InChIInChI=1S/C15H21N3O2/c1-10-3-2-8-18(13(10)9-16)15(20)12-6-4-11(5-7-12)14(17)19/h4-7,10,13H,2-3,8-9,16H2,1H3,(H2,17,19)/t10-,13-/m0/s1
InChIKeyOMJVHMZKEPXLRS-GWCFXTLKSA-N
MW275.35 g/mol
LogP0.98
Rot. Bonds3

About 4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide

4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide (PubChem CID 124696949) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
PubChem CID124696949
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide
SMILESC[C@H]1CCCN(C(=O)c2ccc(C(N)=O)cc2)[C@H]1CN
InChIInChI=1S/C15H21N3O2/c1-10-3-2-8-18(13(10)9-16)15(20)12-6-4-11(5-7-12)14(17)19/h4-7,10,13H,2-3,8-9,16H2,1H3,(H2,17,19)/t10-,13-/m0/s1
InChIKeyOMJVHMZKEPXLRS-GWCFXTLKSA-N
XLogP0.98
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide;hydrochloride
CID 119597231
5-[(2R,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]pyridine-2-carboxamide
CID 124592813
[(2R,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357692
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 95357690
[(2S,3R)-2-(aminomethyl)-3-methylpiperidin-1-yl]-(3-fluoro-4-methylphenyl)methanone
CID 95357681
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,4-difluorophenyl)methanone;hydrochloride
CID 86777596
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(3,5-dihydroxyphenyl)methanone
CID 107705006
N-[[4-[2-(aminomethyl)-3-methylpiperidine-1-carbonyl]phenyl]methyl]acetamide;hydrochloride
CID 119597061
[2-(aminomethyl)-3-methylpiperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;hydrochloride
CID 119597224
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-hydroxyphenyl)methanone
CID 102783565
[2-(aminomethyl)-3-methylpiperidin-1-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone;hydrochloride
CID 119596951
(2S)-6-[(2S,3R)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]-2-methyl-4H-1,4-benzothiazin-3-one
CID 124690618

Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide?
The IUPAC name of 4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide (CID 124696949) is 4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide.
What is the SMILES notation for 4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide?
The canonical SMILES for 4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide is C[C@H]1CCCN(C(=O)c2ccc(C(N)=O)cc2)[C@H]1CN.
What is the InChIKey of 4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide?
The InChIKey is OMJVHMZKEPXLRS-GWCFXTLKSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-10-3-2-8-18(13(10)9-16)15(20)12-6-4-11(5-7-12)14(17)19/h4-7,10,13H,2-3,8-9,16H2,1H3,(H2,17,19)/t10-,13-/m0/s1.
What are the key properties of 4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide?
4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide has a molecular weight of 275.35 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-2-(aminomethyl)-3-methylpiperidine-1-carbonyl]benzamide is sourced from PubChem (CID 124696949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).