N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide

C24H31N3O3 — CID 16589823

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-19-7-5-10-22(17-19)30-16-6-11-23(28)25-21-12-14-27(15-13-21)18-24(29)26-20-8-3-2-4-9-20/h2-5,7-10,17,21H,6,11-16,18H2,1H3,(H,25,28)(H,26,29)
InChIKeyBFZFXYFWOPOVCP-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.37
Rot. Bonds9

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide (PubChem CID 16589823) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
PubChem CID16589823
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide
SMILESCc1cccc(OCCCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C24H31N3O3/c1-19-7-5-10-22(17-19)30-16-6-11-23(28)25-21-12-14-27(15-13-21)18-24(29)26-20-8-3-2-4-9-20/h2-5,7-10,17,21H,6,11-16,18H2,1H3,(H,25,28)(H,26,29)
InChIKeyBFZFXYFWOPOVCP-UHFFFAOYSA-N
XLogP3.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.37
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

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-bromophenoxy)butanamide
CID 32827783
4-(3-methylphenoxy)-N-phenylbutanamide
CID 19173641
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119840358
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-oxo-4-(4-propoxyphenyl)butanamide
CID 29326253
4-(4-phenoxybutanoylamino)-N-phenylpiperidine-1-carboxamide
CID 51324376
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149186
N-(4-fluorophenyl)-2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]acetamide
CID 8804901
4-amino-N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]pentanamide
CID 120564436
4-(4-methylphenoxy)-N-[1-(3-phenoxypropanoyl)piperidin-4-yl]butanamide
CID 108553445
N-(4-fluorophenyl)-2-[4-[2-(3-methylphenoxy)ethyl]piperazin-1-yl]acetamide
CID 8719245
N'-[4-(3-methylphenoxy)butanoyl]cyclopropanecarbohydrazide
CID 26798980
5-(3-methylphenoxy)-N-pyrrolidin-3-ylpentanamide
CID 119451072

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide (CID 16589823) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide is Cc1cccc(OCCCC(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide?
The InChIKey is BFZFXYFWOPOVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-19-7-5-10-22(17-19)30-16-6-11-23(28)25-21-12-14-27(15-13-21)18-24(29)26-20-8-3-2-4-9-20/h2-5,7-10,17,21H,6,11-16,18H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide has a molecular weight of 409.53 g/mol, XLogP of 3.37, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(3-methylphenoxy)butanamide is sourced from PubChem (CID 16589823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).