(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide

C13H24N2O2 — CID 94119495

IUPAC(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
SMILESCC1CCN(CCNC(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H24N2O2/c1-11-4-7-15(8-5-11)9-6-14-13(16)12-3-2-10-17-12/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyJAWQFHWKAMHFLC-LBPRGKRZSA-N
MW240.35 g/mol
LogP1.01
Rot. Bonds4

About (2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide

(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide (PubChem CID 94119495) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
PubChem CID94119495
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
SMILESCC1CCN(CCNC(=O)[C@@H]2CCCO2)CC1
InChIInChI=1S/C13H24N2O2/c1-11-4-7-15(8-5-11)9-6-14-13(16)12-3-2-10-17-12/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1
InChIKeyJAWQFHWKAMHFLC-LBPRGKRZSA-N
XLogP1.01
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-methylpiperidin-1-yl)ethyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 56862595
N-[2-(3-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide
CID 51080907
N-[4-[2-(4-methylpiperidin-1-yl)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 3238521
(2R)-N-[2-[(2S)-2-methylpiperidin-1-yl]ethyl]oxolane-2-carboxamide
CID 124815610
(2R)-N-[2-(4-benzylpiperazin-1-yl)ethyl]oxolane-2-carboxamide
CID 39303318
N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]oxolane-2-carboxamide
CID 42891527
(2R)-N-[2-(4-phenylpiperidin-1-yl)ethyl]oxane-2-carboxamide
CID 125157377
N'-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300750
(2R)-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]oxolane-2-carboxamide
CID 94083611
(2R,3S)-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 120939222
(2R)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 103813586
N-(2-methoxyethyl)oxolane-2-carboxamide
CID 4190232

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide (CID 94119495) is (2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide is CC1CCN(CCNC(=O)[C@@H]2CCCO2)CC1.
What is the InChIKey of (2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide?
The InChIKey is JAWQFHWKAMHFLC-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-11-4-7-15(8-5-11)9-6-14-13(16)12-3-2-10-17-12/h11-12H,2-10H2,1H3,(H,14,16)/t12-/m0/s1.
What are the key properties of (2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide?
(2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(4-methylpiperidin-1-yl)ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 94119495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).