N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide

C14H28N2O — CID 99866850

IUPACN-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)C(C)C
InChIInChI=1S/C14H28N2O/c1-4-13-8-5-6-10-16(13)11-7-9-15-14(17)12(2)3/h12-13H,4-11H2,1-3H3,(H,15,17)/t13-/m0/s1
InChIKeyQSTANHPGFFZQMJ-ZDUSSCGKSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds6

About N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide

N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide (PubChem CID 99866850) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
PubChem CID99866850
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide
SMILESCC[C@H]1CCCCN1CCCNC(=O)C(C)C
InChIInChI=1S/C14H28N2O/c1-4-13-8-5-6-10-16(13)11-7-9-15-14(17)12(2)3/h12-13H,4-11H2,1-3H3,(H,15,17)/t13-/m0/s1
InChIKeyQSTANHPGFFZQMJ-ZDUSSCGKSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125053056
N-[3-(2-ethylpiperidin-1-yl)propyl]cyclopentanecarboxamide
CID 133199610
(2R)-2-(3-chlorophenoxy)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 94018587
N-[3-(2-ethylpiperidin-1-yl)propyl]-2-(4-fluorophenyl)acetamide
CID 133202306
4-(2-ethylpiperidin-1-yl)butan-1-ol
CID 43509675
(2S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)propanamide
CID 125053679
(2S)-2-amino-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentanamide;dihydrochloride
CID 119887846
(3S)-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-1-ethylsulfonylpiperidine-3-carboxamide
CID 124757090
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-2-(4-phenylphenyl)acetamide
CID 100516526
N-[5-[3-[(2R)-2-ethylpiperidin-1-yl]propylsulfamoyl]-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 100582266
acetic acid;1-butyl-2-ethylpiperidine
CID 175583343
2-(4-chlorophenyl)sulfanyl-N-[3-(2-ethylpiperidin-1-yl)propyl]butanamide
CID 132762741

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide?
The IUPAC name of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide (CID 99866850) is N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide is CC[C@H]1CCCCN1CCCNC(=O)C(C)C.
What is the InChIKey of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide?
The InChIKey is QSTANHPGFFZQMJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-13-8-5-6-10-16(13)11-7-9-15-14(17)12(2)3/h12-13H,4-11H2,1-3H3,(H,15,17)/t13-/m0/s1.
What are the key properties of N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide?
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide has a molecular weight of 240.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-methylpropanamide is sourced from PubChem (CID 99866850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).