1-acetyl-4-anilinopiperidine-4-carboxylic acid

C14H18N2O3 — CID 114239013

IUPAC1-acetyl-4-anilinopiperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(Nc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-11(17)16-9-7-14(8-10-16,13(18)19)15-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3,(H,18,19)
InChIKeyHGBXIAQTQWIVKK-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.56
Rot. Bonds3

About 1-acetyl-4-anilinopiperidine-4-carboxylic acid

1-acetyl-4-anilinopiperidine-4-carboxylic acid (PubChem CID 114239013) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-acetyl-4-anilinopiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-acetyl-4-anilinopiperidine-4-carboxylic acid
PubChem CID114239013
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-acetyl-4-anilinopiperidine-4-carboxylic acid
SMILESCC(=O)N1CCC(Nc2ccccc2)(C(=O)O)CC1
InChIInChI=1S/C14H18N2O3/c1-11(17)16-9-7-14(8-10-16,13(18)19)15-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3,(H,18,19)
InChIKeyHGBXIAQTQWIVKK-UHFFFAOYSA-N
XLogP1.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

sodium;4-anilino-1-(2-phenylethyl)piperidine-4-carboxylic acid;hydride
CID 173365914
1-benzyl-4-(3-methylanilino)piperidine-4-carboxylic acid
CID 21193445
3-anilinopiperidine-3-carboxylic acid
CID 131691987
1-benzyl-4-(4-bromoanilino)piperidine-4-carboxylic acid
CID 71564860
4-(3-bromoanilino)-1-ethylpiperidine-4-carboxylic acid
CID 54890731
4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
1-anilino-4-tert-butylcycloheptane-1-carboxylic acid
CID 65095079
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-nitroanilino)piperidine-4-carboxylic acid
CID 134128643
4-anilino-N,N-dimethyl-1-[2-(triazol-1-yl)acetyl]piperidine-4-carboxamide
CID 155874156
4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxamide;4-anilino-1-(naphthalen-1-ylmethyl)piperidine-4-carboxylic acid;ethane-1,2-diol
CID 159048544
4-(3-bromoanilino)-1-propylpiperidine-4-carboxylic acid
CID 60992852

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-4-anilinopiperidine-4-carboxylic acid?
The IUPAC name of 1-acetyl-4-anilinopiperidine-4-carboxylic acid (CID 114239013) is 1-acetyl-4-anilinopiperidine-4-carboxylic acid.
What is the SMILES notation for 1-acetyl-4-anilinopiperidine-4-carboxylic acid?
The canonical SMILES for 1-acetyl-4-anilinopiperidine-4-carboxylic acid is CC(=O)N1CCC(Nc2ccccc2)(C(=O)O)CC1.
What is the InChIKey of 1-acetyl-4-anilinopiperidine-4-carboxylic acid?
The InChIKey is HGBXIAQTQWIVKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-11(17)16-9-7-14(8-10-16,13(18)19)15-12-5-3-2-4-6-12/h2-6,15H,7-10H2,1H3,(H,18,19).
What are the key properties of 1-acetyl-4-anilinopiperidine-4-carboxylic acid?
1-acetyl-4-anilinopiperidine-4-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-4-anilinopiperidine-4-carboxylic acid is sourced from PubChem (CID 114239013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).