N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

C20H30N2O4 — CID 51114268

IUPACN-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCOCCOCCCNC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C20H30N2O4/c1-16-6-8-17(9-7-16)20(24)22-11-3-5-18(15-22)19(23)21-10-4-12-26-14-13-25-2/h6-9,18H,3-5,10-15H2,1-2H3,(H,21,23)
InChIKeyAZYFTMMEJJVTOL-UHFFFAOYSA-N
MW362.47 g/mol
LogP2.02
Rot. Bonds9

About N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide

N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (PubChem CID 51114268) has the molecular formula C20H30N2O4 and a molecular weight of 362.47 g/mol. Its IUPAC name is N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
PubChem CID51114268
Molecular FormulaC20H30N2O4
Molecular Weight362.47 g/mol
Exact Mass362.22
IUPAC NameN-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide
SMILESCOCCOCCCNC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C20H30N2O4/c1-16-6-8-17(9-7-16)20(24)22-11-3-5-18(15-22)19(23)21-10-4-12-26-14-13-25-2/h6-9,18H,3-5,10-15H2,1-2H3,(H,21,23)
InChIKeyAZYFTMMEJJVTOL-UHFFFAOYSA-N
XLogP2.02
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylbenzoyl)-N-(2-phenoxyethyl)piperidine-3-carboxamide
CID 46481032
1-(4-methylbenzoyl)-N-[2-(3-methylphenoxy)ethyl]piperidine-3-carboxamide
CID 46422462
methyl 4-[3-(hexylcarbamoyl)piperidine-1-carbonyl]benzoate
CID 60608356
(3R)-1-(4-methylbenzoyl)-N-[(E)-pent-3-enyl]piperidine-3-carboxamide
CID 95627888
1-(4-methylbenzoyl)-N-(2-naphthalen-1-yloxyethyl)piperidine-3-carboxamide
CID 55890166
5-[(3S)-3-(3-methoxypropylcarbamoyl)piperidine-1-carbonyl]-N-(4-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 92890544
2-[2-[[1-(4-methylbenzoyl)piperidine-3-carbonyl]amino]ethylsulfanyl]acetic acid
CID 119241765
methyl (3S)-1-(4-methylbenzoyl)piperidine-3-carboxylate
CID 78919310
N-(3-methoxypropyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3156754
1-[4-[(2-chlorobenzoyl)amino]benzoyl]-N-(3-methoxypropyl)piperidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146062803
1-(4-fluorobenzoyl)-N-[4-(4-fluorophenoxy)butyl]piperidine-3-carboxamide
CID 55461620
1-(4-fluorobenzoyl)-N-(3-hydroxypropyl)piperidine-3-carboxamide
CID 78854856

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The IUPAC name of N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide (CID 51114268) is N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide.
What is the SMILES notation for N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The canonical SMILES for N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is COCCOCCCNC(=O)C1CCCN(C(=O)c2ccc(C)cc2)C1.
What is the InChIKey of N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
The InChIKey is AZYFTMMEJJVTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4/c1-16-6-8-17(9-7-16)20(24)22-11-3-5-18(15-22)19(23)21-10-4-12-26-14-13-25-2/h6-9,18H,3-5,10-15H2,1-2H3,(H,21,23).
What are the key properties of N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide?
N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-methoxyethoxy)propyl]-1-(4-methylbenzoyl)piperidine-3-carboxamide is sourced from PubChem (CID 51114268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).