N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

C22H34N4O2 — CID 55712509

IUPACN-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCCN(CCCNC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C22H34N4O2/c1-2-24(20-9-4-3-5-10-20)16-8-13-23-21(27)19-11-17-26(18-12-19)22(28)25-14-6-7-15-25/h3-5,9-10,19H,2,6-8,11-18H2,1H3,(H,23,27)
InChIKeyKSWUALKSAOULKG-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.95
Rot. Bonds7

About N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide

N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (PubChem CID 55712509) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
PubChem CID55712509
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC NameN-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
SMILESCCN(CCCNC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccccc1
InChIInChI=1S/C22H34N4O2/c1-2-24(20-9-4-3-5-10-20)16-8-13-23-21(27)19-11-17-26(18-12-19)22(28)25-14-6-7-15-25/h3-5,9-10,19H,2,6-8,11-18H2,1H3,(H,23,27)
InChIKeyKSWUALKSAOULKG-UHFFFAOYSA-N
XLogP2.95
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.95
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-(2-methylpropanoyl)piperidine-4-carboxamide
CID 32795265
N-[3-(N-ethylanilino)propyl]pyrrolidine-3-carboxamide
CID 63005189
N-[3-(N-ethylanilino)propyl]pyrrolidine-2-carboxamide
CID 60717546
N-[3-(N-ethylanilino)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 134034906
N-[3-(N-ethylanilino)propyl]piperidine-2-carboxamide
CID 61259552
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
1-(2,5-dichlorophenyl)sulfonyl-N-[3-(N-ethylanilino)propyl]piperidine-4-carboxamide
CID 41278246
1-ethyl-3-[3-(N-ethylanilino)propyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine;hydroiodide
CID 111389814
N-[3-[benzyl(methyl)amino]propyl]-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 55529899
N-[2-[[N-ethyl-N'-[3-(N-ethylanilino)propyl]carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111390111
3-(N-ethylanilino)propylurea
CID 112708177

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide (CID 55712509) is N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is CCN(CCCNC(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
The InChIKey is KSWUALKSAOULKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-2-24(20-9-4-3-5-10-20)16-8-13-23-21(27)19-11-17-26(18-12-19)22(28)25-14-6-7-15-25/h3-5,9-10,19H,2,6-8,11-18H2,1H3,(H,23,27).
What are the key properties of N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide?
N-[3-(N-ethylanilino)propyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide has a molecular weight of 386.54 g/mol, XLogP of 2.95, 7 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-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 55712509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).