2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

C13H24N2O3 — CID 94160652

IUPAC2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CCC(CO)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C13H24N2O3/c16-10-11-3-5-15(6-4-11)9-13(17)14-8-12-2-1-7-18-12/h11-12,16H,1-10H2,(H,14,17)/t12-/m0/s1
InChIKeyCBKLGQQILPRJDW-LBPRGKRZSA-N
MW256.35 g/mol
LogP-0.01
Rot. Bonds5

About 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide

2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (PubChem CID 94160652) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
PubChem CID94160652
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
SMILESO=C(CN1CCC(CO)CC1)NC[C@@H]1CCCO1
InChIInChI=1S/C13H24N2O3/c16-10-11-3-5-15(6-4-11)9-13(17)14-8-12-2-1-7-18-12/h11-12,16H,1-10H2,(H,14,17)/t12-/m0/s1
InChIKeyCBKLGQQILPRJDW-LBPRGKRZSA-N
XLogP-0.01
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The IUPAC name of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide (CID 94160652) is 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The canonical SMILES for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is O=C(CN1CCC(CO)CC1)NC[C@@H]1CCCO1.
What is the InChIKey of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
The InChIKey is CBKLGQQILPRJDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O3/c16-10-11-3-5-15(6-4-11)9-13(17)14-8-12-2-1-7-18-12/h11-12,16H,1-10H2,(H,14,17)/t12-/m0/s1.
What are the key properties of 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide?
2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide has a molecular weight of 256.35 g/mol, XLogP of -0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(hydroxymethyl)piperidin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide is sourced from PubChem (CID 94160652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).