(2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide

C13H24N2O2 — CID 106625979

IUPAC(2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide
SMILESCCN(CC1CCCCN1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C13H24N2O2/c1-2-15(10-11-6-3-4-8-14-11)13(16)12-7-5-9-17-12/h11-12,14H,2-10H2,1H3/t11?,12-/m0/s1
InChIKeyNEOXUZQGOKFSHF-KIYNQFGBSA-N
MW240.35 g/mol
LogP1.16
Rot. Bonds4

About (2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide

(2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide (PubChem CID 106625979) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide
PubChem CID106625979
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide
SMILESCCN(CC1CCCCN1)C(=O)[C@@H]1CCCO1
InChIInChI=1S/C13H24N2O2/c1-2-15(10-11-6-3-4-8-14-11)13(16)12-7-5-9-17-12/h11-12,14H,2-10H2,1H3/t11?,12-/m0/s1
InChIKeyNEOXUZQGOKFSHF-KIYNQFGBSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
CID 106612018
(2S)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)oxolane-2-carboxamide
CID 106608286
N-ethyl-3-(oxolan-2-yl)-N-(piperidin-2-ylmethyl)propanamide
CID 106626168
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)oxane-2-carboxamide
CID 128964538
N-ethyl-N-(oxolan-2-ylmethyl)-3-piperidin-2-ylpropanamide
CID 62211639
1,3-diethyl-1-(piperidin-2-ylmethyl)urea
CID 106629771
2-(azepan-2-yl)-1-(oxolan-2-yl)ethanone
CID 130577628
N,N-dibutyloxolane-2-carboxamide
CID 3414196
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106609150
3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
CID 62213143
N-ethyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 106626211
N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)cyclohexane-1-carboxamide
CID 106828141

Frequently Asked Questions

What is the IUPAC name of (2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide (CID 106625979) is (2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide is CCN(CC1CCCCN1)C(=O)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide?
The InChIKey is NEOXUZQGOKFSHF-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-2-15(10-11-6-3-4-8-14-11)13(16)12-7-5-9-17-12/h11-12,14H,2-10H2,1H3/t11?,12-/m0/s1.
What are the key properties of (2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide?
(2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-ethyl-N-(piperidin-2-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 106625979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).