N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide

C20H37N3O2 — CID 42245229

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C20H37N3O2/c1-2-22-11-3-4-19(22)16-21-20(24)6-5-17-7-12-23(13-8-17)18-9-14-25-15-10-18/h17-19H,2-16H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyMYEYKUUCHRNLFO-LJQANCHMSA-N
MW351.54 g/mol
LogP2.26
Rot. Bonds7

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide (PubChem CID 42245229) has the molecular formula C20H37N3O2 and a molecular weight of 351.54 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide
PubChem CID42245229
Molecular FormulaC20H37N3O2
Molecular Weight351.54 g/mol
Exact Mass351.29
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide
SMILESCCN1CCC[C@@H]1CNC(=O)CCC1CCN(C2CCOCC2)CC1
InChIInChI=1S/C20H37N3O2/c1-2-22-11-3-4-19(22)16-21-20(24)6-5-17-7-12-23(13-8-17)18-9-14-25-15-10-18/h17-19H,2-16H2,1H3,(H,21,24)/t19-/m1/s1
InChIKeyMYEYKUUCHRNLFO-LJQANCHMSA-N
XLogP2.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.54
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide (CID 42245229) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide is CCN1CCC[C@@H]1CNC(=O)CCC1CCN(C2CCOCC2)CC1.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide?
The InChIKey is MYEYKUUCHRNLFO-LJQANCHMSA-N. The full InChI is InChI=1S/C20H37N3O2/c1-2-22-11-3-4-19(22)16-21-20(24)6-5-17-7-12-23(13-8-17)18-9-14-25-15-10-18/h17-19H,2-16H2,1H3,(H,21,24)/t19-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide has a molecular weight of 351.54 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[1-(oxan-4-yl)piperidin-4-yl]propanamide is sourced from PubChem (CID 42245229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).