2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide

C21H25N3O3 — CID 124573502

IUPAC2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide
SMILESNC[C@H]1CCCCN1C(=O)c1cccc(COc2ccccc2C(N)=O)c1
InChIInChI=1S/C21H25N3O3/c22-13-17-8-3-4-11-24(17)21(26)16-7-5-6-15(12-16)14-27-19-10-2-1-9-18(19)20(23)25/h1-2,5-7,9-10,12,17H,3-4,8,11,13-14,22H2,(H2,23,25)/t17-/m1/s1
InChIKeyJYDGZDRSJRDRKZ-QGZVFWFLSA-N
MW367.45 g/mol
LogP2.32
Rot. Bonds6

About 2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide

2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide (PubChem CID 124573502) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide.

Molecular Properties

Compound Name2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide
PubChem CID124573502
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Name2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide
SMILESNC[C@H]1CCCCN1C(=O)c1cccc(COc2ccccc2C(N)=O)c1
InChIInChI=1S/C21H25N3O3/c22-13-17-8-3-4-11-24(17)21(26)16-7-5-6-15(12-16)14-27-19-10-2-1-9-18(19)20(23)25/h1-2,5-7,9-10,12,17H,3-4,8,11,13-14,22H2,(H2,23,25)/t17-/m1/s1
InChIKeyJYDGZDRSJRDRKZ-QGZVFWFLSA-N
XLogP2.32
TPSA98.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-2-carboxylic acid
CID 154750488
2-[[3-[(9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine-2-carbonyl]phenyl]methoxy]benzamide
CID 167933828
1-[3-[(2-carbamoylphenoxy)methyl]benzoyl]piperidine-3-carboxylic acid
CID 119167810
3-[2-(aminomethyl)piperidine-1-carbonyl]benzamide;hydrochloride
CID 119468634
2-[[3-(2-azabicyclo[2.2.1]heptane-2-carbonyl)phenyl]methoxy]benzamide
CID 48500164
3-[(2-carbamoylphenoxy)methyl]benzoic acid
CID 24691110
2-[[3-[(3S)-3-methylpiperazine-1-carbonyl]phenyl]methoxy]benzamide
CID 124693496
2-[[3-[2-(1-methylpyrrolidin-2-yl)ethylcarbamoyl]phenyl]methoxy]benzamide
CID 11717870
[2-(aminomethyl)piperidin-1-yl]-(3-phenoxyphenyl)methanone;hydrochloride
CID 119467327
[2-(aminomethyl)piperidin-1-yl]-[3-(benzenesulfonylmethyl)phenyl]methanone;hydrochloride
CID 119469703
[(2S)-2-(aminomethyl)piperidin-1-yl]-[3-ethoxy-4-(pyridin-3-ylmethoxy)phenyl]methanone
CID 124573443
[3-(aminomethyl)phenyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633838

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide?
The IUPAC name of 2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide (CID 124573502) is 2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide.
What is the SMILES notation for 2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide?
The canonical SMILES for 2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide is NC[C@H]1CCCCN1C(=O)c1cccc(COc2ccccc2C(N)=O)c1.
What is the InChIKey of 2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide?
The InChIKey is JYDGZDRSJRDRKZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H25N3O3/c22-13-17-8-3-4-11-24(17)21(26)16-7-5-6-15(12-16)14-27-19-10-2-1-9-18(19)20(23)25/h1-2,5-7,9-10,12,17H,3-4,8,11,13-14,22H2,(H2,23,25)/t17-/m1/s1.
What are the key properties of 2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide?
2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide has a molecular weight of 367.45 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2R)-2-(aminomethyl)piperidine-1-carbonyl]phenyl]methoxy]benzamide is sourced from PubChem (CID 124573502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).