4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide

C20H31N3O3 — CID 87036562

IUPAC4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)NCCCOCCc2ccccc2)CC1
InChIInChI=1S/C20H31N3O3/c1-22(2)19(24)18-9-13-23(14-10-18)20(25)21-12-6-15-26-16-11-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3,(H,21,25)
InChIKeyPEIRCRDIVISZSN-UHFFFAOYSA-N
MW361.49 g/mol
LogP2.15
Rot. Bonds8

About 4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide

4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide (PubChem CID 87036562) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide
PubChem CID87036562
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)NCCCOCCc2ccccc2)CC1
InChIInChI=1S/C20H31N3O3/c1-22(2)19(24)18-9-13-23(14-10-18)20(25)21-12-6-15-26-16-11-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3,(H,21,25)
InChIKeyPEIRCRDIVISZSN-UHFFFAOYSA-N
XLogP2.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-phenylethoxy)propyl]thiomorpholine-4-carboxamide
CID 52711041
5-methyl-1-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122122348
(1S,6S)-9-methyl-N-[3-(2-phenylethoxy)propyl]-3,9-diazabicyclo[4.2.1]nonane-3-carboxamide
CID 124776899
tert-butyl 4-[3-(2-phenylethoxy)propylcarbamoyl]piperidine-1-carboxylate
CID 55946757
4-[2-(benzylamino)-2-oxoethyl]-N-[3-(2-phenylethoxy)propyl]piperazine-1-carboxamide
CID 55909232
1-(5-phenylpentylcarbamoyl)piperidine-4-carboxylic acid
CID 122000468
1-(3-phenylpropylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 63032265
ethyl 1-[N'-methyl-N-[3-(2-phenylethoxy)propyl]carbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111155227
5-methyl-1-[3-(2-phenylmethoxyethoxy)propylcarbamoyl]piperidine-3-carboxylic acid
CID 122123416
4-(hydroxymethyl)-N-(4-phenylbutyl)piperidine-1-carboxamide
CID 118398509
N-(3-butoxypropyl)-4-[hydroxy(phenyl)methyl]piperidine-1-carboxamide
CID 86999291
methyl 4-(3-phenylpropylcarbamoyl)piperazine-1-carboxylate
CID 118398412

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide (CID 87036562) is 4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide is CN(C)C(=O)C1CCN(C(=O)NCCCOCCc2ccccc2)CC1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide?
The InChIKey is PEIRCRDIVISZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-22(2)19(24)18-9-13-23(14-10-18)20(25)21-12-6-15-26-16-11-17-7-4-3-5-8-17/h3-5,7-8,18H,6,9-16H2,1-2H3,(H,21,25).
What are the key properties of 4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide?
4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide has a molecular weight of 361.49 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-[3-(2-phenylethoxy)propyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 87036562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).