1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid

C20H24N2O2 — CID 21193445

IUPAC1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
SMILESCc1cccc(NC2(C(=O)O)CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-16-6-5-9-18(14-16)21-20(19(23)24)10-12-22(13-11-20)15-17-7-3-2-4-8-17/h2-9,14,21H,10-13,15H2,1H3,(H,23,24)
InChIKeyUFCWLHQDNRPDPN-UHFFFAOYSA-N
MW324.42 g/mol
LogP3.53
Rot. Bonds5

About 1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid

1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid (PubChem CID 21193445) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
PubChem CID21193445
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
SMILESCc1cccc(NC2(C(=O)O)CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C20H24N2O2/c1-16-6-5-9-18(14-16)21-20(19(23)24)10-12-22(13-11-20)15-17-7-3-2-4-8-17/h2-9,14,21H,10-13,15H2,1H3,(H,23,24)
InChIKeyUFCWLHQDNRPDPN-UHFFFAOYSA-N
XLogP3.53
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
1-(3-methylanilino)cyclobutane-1-carboxylic acid
CID 62389633
4-(3-methylanilino)-1-propylazepane-4-carboxylic acid
CID 65075650
1-benzyl-4-((1,2,3,4,5,6-13C6)cyclohexatrienylamino)piperidine-4-carboxamide
CID 45040221
4-(3-methylanilino)thiane-4-carboxylic acid
CID 55137542
2-(4-benzylpiperazin-1-yl)-N-(3-methylphenyl)propanamide
CID 42858680
4-(3-bromoanilino)-1-ethylpiperidine-4-carboxylic acid
CID 54890731
1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid
CID 62975481
4-anilino-1-[(3-methoxyphenyl)methyl]-N,N-dimethylpiperidine-4-carboxamide
CID 155873379
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
CID 173365914
4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid
CID 60992852

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid?
The IUPAC name of 1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid (CID 21193445) is 1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid?
The canonical SMILES for 1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid is Cc1cccc(NC2(C(=O)O)CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid?
The InChIKey is UFCWLHQDNRPDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-16-6-5-9-18(14-16)21-20(19(23)24)10-12-22(13-11-20)15-17-7-3-2-4-8-17/h2-9,14,21H,10-13,15H2,1H3,(H,23,24).
What are the key properties of 1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid?
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid has a molecular weight of 324.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid is sourced from PubChem (CID 21193445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).