(2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide

C12H22N2O2 — CID 27212432

IUPAC(2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide
SMILESO=C(NCCN1CCCCC1)[C@@H]1CCCO1
InChIInChI=1S/C12H22N2O2/c15-12(11-5-4-10-16-11)13-6-9-14-7-2-1-3-8-14/h11H,1-10H2,(H,13,15)/t11-/m0/s1
InChIKeyPBANAYZJNWXZIT-NSHDSACASA-N
MW226.32 g/mol
LogP0.77
Rot. Bonds4

About (2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide

(2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide (PubChem CID 27212432) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide
PubChem CID27212432
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name(2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide
SMILESO=C(NCCN1CCCCC1)[C@@H]1CCCO1
InChIInChI=1S/C12H22N2O2/c15-12(11-5-4-10-16-11)13-6-9-14-7-2-1-3-8-14/h11H,1-10H2,(H,13,15)/t11-/m0/s1
InChIKeyPBANAYZJNWXZIT-NSHDSACASA-N
XLogP0.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide?
The IUPAC name of (2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide (CID 27212432) is (2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide?
The canonical SMILES for (2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide is O=C(NCCN1CCCCC1)[C@@H]1CCCO1.
What is the InChIKey of (2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide?
The InChIKey is PBANAYZJNWXZIT-NSHDSACASA-N. The full InChI is InChI=1S/C12H22N2O2/c15-12(11-5-4-10-16-11)13-6-9-14-7-2-1-3-8-14/h11H,1-10H2,(H,13,15)/t11-/m0/s1.
What are the key properties of (2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide?
(2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-piperidin-1-ylethyl)oxolane-2-carboxamide is sourced from PubChem (CID 27212432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).