N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid

C12H22N2O5 — CID 122170238

IUPACN-ethyl-3-piperidin-1-ylpropanamide;oxalic acid
SMILESCCNC(=O)CCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C10H20N2O.C2H2O4/c1-2-11-10(13)6-9-12-7-4-3-5-8-12;3-1(4)2(5)6/h2-9H2,1H3,(H,11,13);(H,3,4)(H,5,6)
InChIKeySMVCSYSBNPHOKJ-UHFFFAOYSA-N
MW274.32 g/mol
LogP0.15
Rot. Bonds4

About N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid

N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid (PubChem CID 122170238) has the molecular formula C12H22N2O5 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid.

Molecular Properties

Compound NameN-ethyl-3-piperidin-1-ylpropanamide;oxalic acid
PubChem CID122170238
Molecular FormulaC12H22N2O5
Molecular Weight274.32 g/mol
Exact Mass274.15
IUPAC NameN-ethyl-3-piperidin-1-ylpropanamide;oxalic acid
SMILESCCNC(=O)CCN1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C10H20N2O.C2H2O4/c1-2-11-10(13)6-9-12-7-4-3-5-8-12;3-1(4)2(5)6/h2-9H2,1H3,(H,11,13);(H,3,4)(H,5,6)
InChIKeySMVCSYSBNPHOKJ-UHFFFAOYSA-N
XLogP0.15
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 110688262
3-(1,4-diazepan-1-yl)-N-ethylpropanamide
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3-[4-(2-aminoethyl)piperazin-1-yl]-N-ethylpropanamide
CID 62325479
N-ethyl-3-(4-hydroxy-4-methylazepan-1-yl)propanamide
CID 107408256
N-(2-ethylbutyl)-3-pyrrolidin-1-ylpropanamide
CID 115650073
N-methyl-3-pyrrolidin-1-ylpropanamide
CID 20700879
3-[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-N-ethylpropanamide
CID 55061438
N-ethyl-3-(3-hydroxy-3-methylpiperidin-1-yl)propanamide
CID 115874028
3-(azepan-1-yl)-N-prop-2-enylpropanamide
CID 109011875
3-[4-(2-amino-2-sulfanylideneethyl)piperazin-1-yl]-N-ethylpropanamide
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ethane;N-ethyl-2-pyrrolidin-1-ylacetamide
CID 144584816

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid?
The IUPAC name of N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid (CID 122170238) is N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid.
What is the SMILES notation for N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid?
The canonical SMILES for N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid is CCNC(=O)CCN1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid?
The InChIKey is SMVCSYSBNPHOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2H2O4/c1-2-11-10(13)6-9-12-7-4-3-5-8-12;3-1(4)2(5)6/h2-9H2,1H3,(H,11,13);(H,3,4)(H,5,6).
What are the key properties of N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid?
N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid has a molecular weight of 274.32 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-piperidin-1-ylpropanamide;oxalic acid is sourced from PubChem (CID 122170238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).