1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide

C19H29N3O3 — CID 87034533

IUPAC1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC(C)COCCNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-15(2)14-25-13-10-20-19(24)22-11-8-16(9-12-22)18(23)21-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyDQTIZBRQUAWTGK-UHFFFAOYSA-N
MW347.46 g/mol
LogP2.72
Rot. Bonds7

About 1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide

1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 87034533) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID87034533
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide
SMILESCC(C)COCCNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C19H29N3O3/c1-15(2)14-25-13-10-20-19(24)22-11-8-16(9-12-22)18(23)21-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyDQTIZBRQUAWTGK-UHFFFAOYSA-N
XLogP2.72
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methylpropyl)-1-N-[4-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 50845707
4-N-phenyl-1-N-[2-(2,2,2-trifluoroethylsulfanyl)ethyl]piperidine-1,4-dicarboxamide
CID 146086528
N-phenyl-1-(3-phenylbutanoyl)piperidine-4-carboxamide
CID 17409720
2-anilino-N-[2-(2-methylpropoxy)ethyl]acetamide
CID 115738429
4-N-(6-methylheptan-2-yl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51158606
2-methylpropyl 3-(phenylcarbamoyl)piperidine-1-carboxylate
CID 68757198
4-N-phenyl-1-N-[[4-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]piperidine-1,4-dicarboxamide
CID 41199883
1-N-phenyl-4-N-(2-phenylethyl)piperidine-1,4-dicarboxamide
CID 3222789
1-[(2R)-2-(4-fluorophenoxy)propanoyl]-N-phenylpiperidine-4-carboxamide
CID 41499825
1-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-4-carboxamide
CID 9134673
1-benzoyl-N-(4-propan-2-yloxyphenyl)piperidine-4-carboxamide
CID 110298361
4-N-[(2R)-2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 9220209

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide (CID 87034533) is 1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide is CC(C)COCCNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is DQTIZBRQUAWTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-15(2)14-25-13-10-20-19(24)22-11-8-16(9-12-22)18(23)21-17-6-4-3-5-7-17/h3-7,15-16H,8-14H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of 1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide?
1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.72, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(2-methylpropoxy)ethyl]-4-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 87034533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).