2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide

C20H31N3O — CID 108990903

IUPAC2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-3-18-6-4-5-13-23(18)20(24)21-17-7-9-19(10-8-17)22-14-11-16(2)12-15-22/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,21,24)
InChIKeySNYGILFHTUARRS-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.72
Rot. Bonds3

About 2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide

2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide (PubChem CID 108990903) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
PubChem CID108990903
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
SMILESCCC1CCCCN1C(=O)Nc1ccc(N2CCC(C)CC2)cc1
InChIInChI=1S/C20H31N3O/c1-3-18-6-4-5-13-23(18)20(24)21-17-7-9-19(10-8-17)22-14-11-16(2)12-15-22/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,21,24)
InChIKeySNYGILFHTUARRS-UHFFFAOYSA-N
XLogP4.72
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(4-chlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 3111956
(2R)-2-ethyl-N-phenylpiperidine-1-carboxamide
CID 728630
N-[4-(4-methylpiperidin-1-yl)phenyl]pyrrolidine-1-carboxamide
CID 108987878
N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide
CID 108987931
N-[4-(aminomethyl)phenyl]-2-ethylazepane-1-carboxamide
CID 104690862
(2R)-2-ethyl-N-[3-[[(2R)-2-ethylpiperidine-1-carbonyl]amino]phenyl]piperidine-1-carboxamide
CID 7190614
4-[[(2S)-2-ethylpiperidine-1-carbonyl]amino]benzenesulfonyl chloride
CID 97291407
1-(2-ethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylanilino)ethanone
CID 109006467
2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109140342
N-(2,6-dichlorophenyl)-2-ethylpiperidine-1-carboxamide
CID 108990919
(2S)-2-ethyl-N-(6-morpholin-4-yl-3-pyridinyl)piperidine-1-carboxamide
CID 94146426
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide (CID 108990903) is 2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide is CCC1CCCCN1C(=O)Nc1ccc(N2CCC(C)CC2)cc1.
What is the InChIKey of 2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide?
The InChIKey is SNYGILFHTUARRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-3-18-6-4-5-13-23(18)20(24)21-17-7-9-19(10-8-17)22-14-11-16(2)12-15-22/h7-10,16,18H,3-6,11-15H2,1-2H3,(H,21,24).
What are the key properties of 2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide?
2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide has a molecular weight of 329.49 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(4-methylpiperidin-1-yl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 108990903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).