N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide

C20H25N3O2 — CID 100803206

IUPACN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1
InChIInChI=1S/C20H25N3O2/c1-14-5-3-4-12-23(14)19-11-8-16(21)13-18(19)22-20(24)15-6-9-17(25-2)10-7-15/h6-11,13-14H,3-5,12,21H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyKOYMKPKZQIJYDZ-CQSZACIVSA-N
MW339.44 g/mol
LogP3.91
Rot. Bonds4

About N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide

N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide (PubChem CID 100803206) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
PubChem CID100803206
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1
InChIInChI=1S/C20H25N3O2/c1-14-5-3-4-12-23(14)19-11-8-16(21)13-18(19)22-20(24)15-6-9-17(25-2)10-7-15/h6-11,13-14H,3-5,12,21H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyKOYMKPKZQIJYDZ-CQSZACIVSA-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-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
CID 100803208
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803251
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-chloro-4-methylbenzamide
CID 100803211
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-3-iodobenzamide
CID 100803229
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-2-chlorobenzamide
CID 100803176
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]propanamide
CID 100803131
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 91675417
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 91675412
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]furan-2-carboxamide
CID 100803151
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]pentanamide
CID 91675384

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide?
The IUPAC name of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide (CID 100803206) is N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide?
The canonical SMILES for N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1.
What is the InChIKey of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide?
The InChIKey is KOYMKPKZQIJYDZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-5-3-4-12-23(14)19-11-8-16(21)13-18(19)22-20(24)15-6-9-17(25-2)10-7-15/h6-11,13-14H,3-5,12,21H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide?
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-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-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-4-methoxybenzamide is sourced from PubChem (CID 100803206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).