2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide

C14H27N3O2 — CID 94163388

IUPAC2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C14H27N3O2/c1-3-4-7-16(10-13(15)18)11-14(19)17-8-5-6-12(2)9-17/h12H,3-11H2,1-2H3,(H2,15,18)/t12-/m0/s1
InChIKeyNKFJPGVPMBYVSE-LBPRGKRZSA-N
MW269.39 g/mol
LogP0.83
Rot. Bonds7

About 2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide

2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide (PubChem CID 94163388) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide.

Molecular Properties

Compound Name2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
PubChem CID94163388
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide
SMILESCCCCN(CC(N)=O)CC(=O)N1CCC[C@H](C)C1
InChIInChI=1S/C14H27N3O2/c1-3-4-7-16(10-13(15)18)11-14(19)17-8-5-6-12(2)9-17/h12H,3-11H2,1-2H3,(H2,15,18)/t12-/m0/s1
InChIKeyNKFJPGVPMBYVSE-LBPRGKRZSA-N
XLogP0.83
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide?
The IUPAC name of 2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide (CID 94163388) is 2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide.
What is the SMILES notation for 2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide?
The canonical SMILES for 2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide is CCCCN(CC(N)=O)CC(=O)N1CCC[C@H](C)C1.
What is the InChIKey of 2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide?
The InChIKey is NKFJPGVPMBYVSE-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-4-7-16(10-13(15)18)11-14(19)17-8-5-6-12(2)9-17/h12H,3-11H2,1-2H3,(H2,15,18)/t12-/m0/s1.
What are the key properties of 2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide?
2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide has a molecular weight of 269.39 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-[(3S)-3-methylpiperidin-1-yl]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 94163388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).