N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide

C20H25N3O2 — CID 100803336

IUPACN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)c(N)c1
InChIInChI=1S/C20H25N3O2/c1-14-7-5-6-12-23(14)18-11-10-15(13-17(18)21)22-20(24)16-8-3-4-9-19(16)25-2/h3-4,8-11,13-14H,5-7,12,21H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyCEIHPYVFRJMECD-AWEZNQCLSA-N
MW339.44 g/mol
LogP3.91
Rot. Bonds4

About N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide

N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide (PubChem CID 100803336) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
PubChem CID100803336
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)c(N)c1
InChIInChI=1S/C20H25N3O2/c1-14-7-5-6-12-23(14)18-11-10-15(13-17(18)21)22-20(24)16-8-3-4-9-19(16)25-2/h3-4,8-11,13-14H,5-7,12,21H2,1-2H3,(H,22,24)/t14-/m0/s1
InChIKeyCEIHPYVFRJMECD-AWEZNQCLSA-N
XLogP3.91
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[3-amino-4-[(2R)-2-methylpiperidin-1-yl]phenyl]-2-iodobenzamide
CID 100803316
N-(3-amino-4-piperidin-1-ylphenyl)-2-methoxybenzamide
CID 91676435
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676104
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803366
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]thiophene-2-carboxamide
CID 100803273
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromobenzamide
CID 91676371
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-4-ethylbenzamide
CID 91676351
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-ethoxybenzamide
CID 100803350
N-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-propoxybenzamide
CID 91676450
N-[4-amino-2-chloro-5-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 95733324
2-methoxy-N-[4-(4-methylpiperidin-1-yl)-3-(piperidine-1-carbonyl)phenyl]benzamide
CID 42751223
N-[3-(cyclopentanecarbonylamino)phenyl]-2-methoxybenzamide
CID 46880084

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide?
The IUPAC name of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide (CID 100803336) is N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1ccc(N2CCCC[C@@H]2C)c(N)c1.
What is the InChIKey of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide?
The InChIKey is CEIHPYVFRJMECD-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-7-5-6-12-23(14)18-11-10-15(13-17(18)21)22-20(24)16-8-3-4-9-19(16)25-2/h3-4,8-11,13-14H,5-7,12,21H2,1-2H3,(H,22,24)/t14-/m0/s1.
What are the key properties of N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide?
N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide has a molecular weight of 339.44 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-4-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 100803336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).