N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide

C20H32N4O3 — CID 45242648

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)c2ocnc2C)CC1
InChIInChI=1S/C20H32N4O3/c1-3-23-10-4-5-17(23)13-21-18(25)7-6-16-8-11-24(12-9-16)20(26)19-15(2)22-14-27-19/h14,16-17H,3-13H2,1-2H3,(H,21,25)
InChIKeyROXVJRBJCJUEKL-UHFFFAOYSA-N
MW376.50 g/mol
LogP2.22
Rot. Bonds7

About N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide (PubChem CID 45242648) has the molecular formula C20H32N4O3 and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
PubChem CID45242648
Molecular FormulaC20H32N4O3
Molecular Weight376.50 g/mol
Exact Mass376.25
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)c2ocnc2C)CC1
InChIInChI=1S/C20H32N4O3/c1-3-23-10-4-5-17(23)13-21-18(25)7-6-16-8-11-24(12-9-16)20(26)19-15(2)22-14-27-19/h14,16-17H,3-13H2,1-2H3,(H,21,25)
InChIKeyROXVJRBJCJUEKL-UHFFFAOYSA-N
XLogP2.22
TPSA78.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide (CID 45242648) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(C(=O)c2ocnc2C)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is ROXVJRBJCJUEKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O3/c1-3-23-10-4-5-17(23)13-21-18(25)7-6-16-8-11-24(12-9-16)20(26)19-15(2)22-14-27-19/h14,16-17H,3-13H2,1-2H3,(H,21,25).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 376.50 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(4-methyl-1,3-oxazole-5-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45242648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).