4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide

C12H24N2O2 — CID 97131483

IUPAC4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide
SMILESCC[C@@]1(CO)CCCN(CCCC(N)=O)C1
InChIInChI=1S/C12H24N2O2/c1-2-12(10-15)6-4-8-14(9-12)7-3-5-11(13)16/h15H,2-10H2,1H3,(H2,13,16)/t12-/m1/s1
InChIKeyKMSXAGUOTVPAKB-GFCCVEGCSA-N
MW228.34 g/mol
LogP0.74
Rot. Bonds6

About 4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide

4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide (PubChem CID 97131483) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound Name4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide
PubChem CID97131483
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide
SMILESCC[C@@]1(CO)CCCN(CCCC(N)=O)C1
InChIInChI=1S/C12H24N2O2/c1-2-12(10-15)6-4-8-14(9-12)7-3-5-11(13)16/h15H,2-10H2,1H3,(H2,13,16)/t12-/m1/s1
InChIKeyKMSXAGUOTVPAKB-GFCCVEGCSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide?
The IUPAC name of 4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide (CID 97131483) is 4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide.
What is the SMILES notation for 4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide?
The canonical SMILES for 4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide is CC[C@@]1(CO)CCCN(CCCC(N)=O)C1.
What is the InChIKey of 4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide?
The InChIKey is KMSXAGUOTVPAKB-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-12(10-15)6-4-8-14(9-12)7-3-5-11(13)16/h15H,2-10H2,1H3,(H2,13,16)/t12-/m1/s1.
What are the key properties of 4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide?
4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide has a molecular weight of 228.34 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-ethyl-3-(hydroxymethyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 97131483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).