N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

C21H33N3O2 — CID 32795265

IUPACN-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCCN(CCCNC(=O)C1CCN(C(=O)C(C)C)CC1)c1ccccc1
InChIInChI=1S/C21H33N3O2/c1-4-23(19-9-6-5-7-10-19)14-8-13-22-20(25)18-11-15-24(16-12-18)21(26)17(2)3/h5-7,9-10,17-18H,4,8,11-16H2,1-3H3,(H,22,25)
InChIKeyBUJHJZFIIOFDPN-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.91
Rot. Bonds8

About N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide

N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (PubChem CID 32795265) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
PubChem CID32795265
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC NameN-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
SMILESCCN(CCCNC(=O)C1CCN(C(=O)C(C)C)CC1)c1ccccc1
InChIInChI=1S/C21H33N3O2/c1-4-23(19-9-6-5-7-10-19)14-8-13-22-20(25)18-11-15-24(16-12-18)21(26)17(2)3/h5-7,9-10,17-18H,4,8,11-16H2,1-3H3,(H,22,25)
InChIKeyBUJHJZFIIOFDPN-UHFFFAOYSA-N
XLogP2.91
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.91
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-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55712509
N-[3-(dimethylamino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide
CID 113003552
1-(2-methylpropanoyl)-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide
CID 38572415
N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005189
N-ethyl-1-(2-methylpropanoyl)-N-phenylpiperidine-4-carboxamide
CID 113006682
N-[3-(N-ethylanilino)propyl]-1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide
CID 55397868
ethyl 1-[N-[3-(N-ethylanilino)propyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111155642
N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034906
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperidine-4-carboxamide
CID 41278246
N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide
CID 61259552
1-(2,2-diphenylacetyl)-N-pentylpiperidine-4-carboxamide
CID 113005595
6-[[1-(2-methylpropanoyl)piperidine-4-carbonyl]amino]hexanoic acid
CID 119220092

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide (CID 32795265) is N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is CCN(CCCNC(=O)C1CCN(C(=O)C(C)C)CC1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
The InChIKey is BUJHJZFIIOFDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-4-23(19-9-6-5-7-10-19)14-8-13-22-20(25)18-11-15-24(16-12-18)21(26)17(2)3/h5-7,9-10,17-18H,4,8,11-16H2,1-3H3,(H,22,25).
What are the key properties of N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide?
N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide has a molecular weight of 359.51 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-1-(2-methylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 32795265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).