N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide

C21H27N3O3 — CID 100803208

IUPACN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1OC
InChIInChI=1S/C21H27N3O3/c1-14-6-4-5-11-24(14)18-9-8-16(22)13-17(18)23-21(25)15-7-10-19(26-2)20(12-15)27-3/h7-10,12-14H,4-6,11,22H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeySCZVVPWTVMRJPK-CQSZACIVSA-N
MW369.47 g/mol
LogP3.92
Rot. Bonds5

About N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide

N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide (PubChem CID 100803208) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
PubChem CID100803208
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC NameN-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1OC
InChIInChI=1S/C21H27N3O3/c1-14-6-4-5-11-24(14)18-9-8-16(22)13-17(18)23-21(25)15-7-10-19(26-2)20(12-15)27-3/h7-10,12-14H,4-6,11,22H2,1-3H3,(H,23,25)/t14-/m1/s1
InChIKeySCZVVPWTVMRJPK-CQSZACIVSA-N
XLogP3.92
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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]-4-methoxybenzamide
CID 100803206
N-[5-amino-2-[(2S)-2-methylpiperidin-1-yl]phenyl]-4-chlorobenzamide
CID 100803194
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,5-dichloro-4-methoxybenzamide
CID 100803251
N-[5-amino-2-(2-methylpiperidin-1-yl)phenyl]benzamide
CID 91675423
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-[3-amino-4-(2-methylpiperidin-1-yl)phenyl]-3-bromo-4-methoxybenzamide
CID 91676104
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]-1-benzofuran-2-carboxamide
CID 91675417

Frequently Asked Questions

What is the IUPAC name of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide (CID 100803208) is N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC[C@H]2C)cc1OC.
What is the InChIKey of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide?
The InChIKey is SCZVVPWTVMRJPK-CQSZACIVSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14-6-4-5-11-24(14)18-9-8-16(22)13-17(18)23-21(25)15-7-10-19(26-2)20(12-15)27-3/h7-10,12-14H,4-6,11,22H2,1-3H3,(H,23,25)/t14-/m1/s1.
What are the key properties of N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide?
N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide has a molecular weight of 369.47 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-2-[(2R)-2-methylpiperidin-1-yl]phenyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 100803208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).