4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide

C18H27N3O3 — CID 155876364

IUPAC4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(Nc2ccccc2)(C(=O)NCCOC)CC1
InChIInChI=1S/C18H27N3O3/c1-3-16(22)21-12-9-18(10-13-21,17(23)19-11-14-24-2)20-15-7-5-4-6-8-15/h4-8,20H,3,9-14H2,1-2H3,(H,19,23)
InChIKeyPKBLQWHAFNYKAW-UHFFFAOYSA-N
MW333.43 g/mol
LogP1.63
Rot. Bonds7

About 4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide

4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide (PubChem CID 155876364) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide
PubChem CID155876364
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC Name4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide
SMILESCCC(=O)N1CCC(Nc2ccccc2)(C(=O)NCCOC)CC1
InChIInChI=1S/C18H27N3O3/c1-3-16(22)21-12-9-18(10-13-21,17(23)19-11-14-24-2)20-15-7-5-4-6-8-15/h4-8,20H,3,9-14H2,1-2H3,(H,19,23)
InChIKeyPKBLQWHAFNYKAW-UHFFFAOYSA-N
XLogP1.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid
CID 171693395
1-N-(2-methoxyethyl)-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 108972742
1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155871558
1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872456
1-acetyl-4-anilinopiperidine-4-carboxylic acid
CID 114239013
1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878649
N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide
CID 155870922
3-(3-fluoroanilino)-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 155874713
N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874048
ethyl 4-anilino-1-ethylpiperidine-4-carboxylate
CID 60992582
1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155879839
1-[4-anilino-4-(methoxymethyl)piperidin-1-yl]propan-1-one;N-[4-(methoxymethyl)piperidin-4-yl]-N-phenylpropanamide
CID 158433136

Frequently Asked Questions

What is the IUPAC name of 4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide?
The IUPAC name of 4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide (CID 155876364) is 4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide.
What is the SMILES notation for 4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide?
The canonical SMILES for 4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide is CCC(=O)N1CCC(Nc2ccccc2)(C(=O)NCCOC)CC1.
What is the InChIKey of 4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide?
The InChIKey is PKBLQWHAFNYKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-16(22)21-12-9-18(10-13-21,17(23)19-11-14-24-2)20-15-7-5-4-6-8-15/h4-8,20H,3,9-14H2,1-2H3,(H,19,23).
What are the key properties of 4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide?
4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide has a molecular weight of 333.43 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide is sourced from PubChem (CID 155876364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).