5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide

C22H27N3O4 — CID 120620884

IUPAC5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCOc1cc(NC(=O)c2cc(N)ccc2C)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-14-7-8-15(23)11-16(14)21(26)24-18-13-20(29-3)19(28-2)12-17(18)22(27)25-9-5-4-6-10-25/h7-8,11-13H,4-6,9-10,23H2,1-3H3,(H,24,26)
InChIKeyKZXWQDJOCIUEGP-UHFFFAOYSA-N
MW397.48 g/mol
LogP3.47
Rot. Bonds5

About 5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide

5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide (PubChem CID 120620884) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide.

Molecular Properties

Compound Name5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
PubChem CID120620884
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
SMILESCOc1cc(NC(=O)c2cc(N)ccc2C)c(C(=O)N2CCCCC2)cc1OC
InChIInChI=1S/C22H27N3O4/c1-14-7-8-15(23)11-16(14)21(26)24-18-13-20(29-3)19(28-2)12-17(18)22(27)25-9-5-4-6-10-25/h7-8,11-13H,4-6,9-10,23H2,1-3H3,(H,24,26)
InChIKeyKZXWQDJOCIUEGP-UHFFFAOYSA-N
XLogP3.47
TPSA93.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 53.47
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-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55639759
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methyl-3-nitrobenzamide
CID 55639880
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119711915
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 55639644
2-(cyclopropylmethylamino)-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119711968
N-[4-[(5-amino-2-methylbenzoyl)amino]phenyl]azepane-1-carboxamide;hydrochloride
CID 120628975
(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283072
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023
4-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]butanamide;hydrochloride
CID 119283056
N-[4-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-methoxy-4-methylbenzamide
CID 55776820
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 55639888

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide?
The IUPAC name of 5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide (CID 120620884) is 5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide.
What is the SMILES notation for 5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide?
The canonical SMILES for 5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide is COc1cc(NC(=O)c2cc(N)ccc2C)c(C(=O)N2CCCCC2)cc1OC.
What is the InChIKey of 5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide?
The InChIKey is KZXWQDJOCIUEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-14-7-8-15(23)11-16(14)21(26)24-18-13-20(29-3)19(28-2)12-17(18)22(27)25-9-5-4-6-10-25/h7-8,11-13H,4-6,9-10,23H2,1-3H3,(H,24,26).
What are the key properties of 5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide?
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide has a molecular weight of 397.48 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide is sourced from PubChem (CID 120620884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).