N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide

C19H23N3O — CID 91676338

IUPACN-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)c1
InChIInChI=1S/C19H23N3O/c1-14-6-5-7-15(12-14)19(23)21-16-8-9-18(17(20)13-16)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,23)
InChIKeyLCGBKGRZRXUNHJ-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.82
Rot. Bonds3

About N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide

N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide (PubChem CID 91676338) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide.

Molecular Properties

Compound NameN-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
PubChem CID91676338
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide
SMILESCc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)c1
InChIInChI=1S/C19H23N3O/c1-14-6-5-7-15(12-14)19(23)21-16-8-9-18(17(20)13-16)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,23)
InChIKeyLCGBKGRZRXUNHJ-UHFFFAOYSA-N
XLogP3.82
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-2-chloro-5-piperidin-1-ylphenyl)-3-methylbenzamide
CID 50881210
N-(5-amino-2-piperidin-1-ylphenyl)-3-methylbenzamide
CID 91675430
N-[3-[(3,5-dimethylphenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326500
N-[3-[(3-fluorophenyl)carbamoylamino]-4-piperidin-1-ylphenyl]-3-methylbenzamide
CID 46326527
2-(4-carbamoyl-4-piperidin-1-ylpiperidin-1-yl)-5-[(3-methylbenzoyl)amino]benzoic acid
CID 50807439
N-(3-amino-4-methylphenyl)-3-pyrrolidin-1-ylbenzamide
CID 22291087
N-[3-[(2-chloro-4-methylphenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326340
N-[3-[(3-bromophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326353
N-[3-[(3-fluorophenyl)carbamoylamino]-4-pyrrolidin-1-ylphenyl]-3-methylbenzamide
CID 46326390
N-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-3-methylbenzamide
CID 17102762
N-(3-amino-4-chlorophenyl)-3-methylbenzamide
CID 16772508
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide?
The IUPAC name of N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide (CID 91676338) is N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide.
What is the SMILES notation for N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide?
The canonical SMILES for N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide is Cc1cccc(C(=O)Nc2ccc(N3CCCCC3)c(N)c2)c1.
What is the InChIKey of N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide?
The InChIKey is LCGBKGRZRXUNHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14-6-5-7-15(12-14)19(23)21-16-8-9-18(17(20)13-16)22-10-3-2-4-11-22/h5-9,12-13H,2-4,10-11,20H2,1H3,(H,21,23).
What are the key properties of N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide?
N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide has a molecular weight of 309.41 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-piperidin-1-ylphenyl)-3-methylbenzamide is sourced from PubChem (CID 91676338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).