3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide

C18H32N2O3 — CID 95619752

IUPAC3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)NCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C18H32N2O3/c21-17(7-6-16-5-4-12-23-16)19-15-18(8-13-22-14-9-18)20-10-2-1-3-11-20/h16H,1-15H2,(H,19,21)/t16-/m0/s1
InChIKeyYDOJWXWSUQAVBZ-INIZCTEOSA-N
MW324.47 g/mol
LogP2.10
Rot. Bonds6

About 3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide

3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide (PubChem CID 95619752) has the molecular formula C18H32N2O3 and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
PubChem CID95619752
Molecular FormulaC18H32N2O3
Molecular Weight324.47 g/mol
Exact Mass324.24
IUPAC Name3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide
SMILESO=C(CC[C@@H]1CCCO1)NCC1(N2CCCCC2)CCOCC1
InChIInChI=1S/C18H32N2O3/c21-17(7-6-16-5-4-12-23-16)19-15-18(8-13-22-14-9-18)20-10-2-1-3-11-20/h16H,1-15H2,(H,19,21)/t16-/m0/s1
InChIKeyYDOJWXWSUQAVBZ-INIZCTEOSA-N
XLogP2.10
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The IUPAC name of 3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide (CID 95619752) is 3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The canonical SMILES for 3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide is O=C(CC[C@@H]1CCCO1)NCC1(N2CCCCC2)CCOCC1.
What is the InChIKey of 3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
The InChIKey is YDOJWXWSUQAVBZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H32N2O3/c21-17(7-6-16-5-4-12-23-16)19-15-18(8-13-22-14-9-18)20-10-2-1-3-11-20/h16H,1-15H2,(H,19,21)/t16-/m0/s1.
What are the key properties of 3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide?
3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide has a molecular weight of 324.47 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-oxolan-2-yl]-N-[(4-piperidin-1-yloxan-4-yl)methyl]propanamide is sourced from PubChem (CID 95619752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).