N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide

C12H24N2O2 — CID 111107076

IUPACN-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCCCC1C(C)O
InChIInChI=1S/C12H24N2O2/c1-3-13-12(16)7-9-14-8-5-4-6-11(14)10(2)15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyMLBWOUBSZMWQPX-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.75
Rot. Bonds5

About N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide

N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide (PubChem CID 111107076) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
PubChem CID111107076
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
SMILESCCNC(=O)CCN1CCCCC1C(C)O
InChIInChI=1S/C12H24N2O2/c1-3-13-12(16)7-9-14-8-5-4-6-11(14)10(2)15/h10-11,15H,3-9H2,1-2H3,(H,13,16)
InChIKeyMLBWOUBSZMWQPX-UHFFFAOYSA-N
XLogP0.75
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-[2-(2-hydroxypropyl)piperidin-1-yl]propanamide
CID 114338248
N-ethyl-3-(2-formylpiperidin-1-yl)propanamide
CID 62654057
N-(2,6-dichlorophenyl)-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111107084
N-ethyl-3-[2-(2-oxopropyl)piperidin-1-yl]propanamide
CID 79539534
methyl 1-[3-(ethylamino)-3-oxopropyl]piperidine-2-carboxylate
CID 115280659
2-[2-(1-hydroxyethyl)piperidin-1-yl]-N-propylacetamide
CID 111107007
3-[2-(1-hydroxyethyl)piperidin-1-yl]-N-(2-methylphenyl)propanamide
CID 111496368
3-[(2S)-2-ethenylpyrrolidin-1-yl]-N-ethylpropanamide
CID 156885488
(1R)-1-[(2R)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414164
(1R)-1-[(2S)-1-(2-hydroxyethyl)piperidin-2-yl]ethanol
CID 129414162
propan-2-yl 3-[2-(1-hydroxypropyl)piperidin-1-yl]propanoate
CID 111488180
3-[2-(1-hydroxyethyl)piperidin-1-yl]-1-morpholin-4-ylpropan-1-one
CID 111107028

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The IUPAC name of N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide (CID 111107076) is N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The canonical SMILES for N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide is CCNC(=O)CCN1CCCCC1C(C)O.
What is the InChIKey of N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide?
The InChIKey is MLBWOUBSZMWQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-3-13-12(16)7-9-14-8-5-4-6-11(14)10(2)15/h10-11,15H,3-9H2,1-2H3,(H,13,16).
What are the key properties of N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide?
N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide has a molecular weight of 228.34 g/mol, XLogP of 0.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[2-(1-hydroxyethyl)piperidin-1-yl]propanamide is sourced from PubChem (CID 111107076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).