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

C21H37N3O3 — CID 45220917

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C21H37N3O3/c1-2-23-11-3-4-19(23)16-22-20(25)6-5-17-7-12-24(13-8-17)21(26)18-9-14-27-15-10-18/h17-19H,2-16H2,1H3,(H,22,25)
InChIKeyIUWIUGAYKXAENC-UHFFFAOYSA-N
MW379.55 g/mol
LogP2.03
Rot. Bonds7

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

N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide (PubChem CID 45220917) has the molecular formula C21H37N3O3 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide
PubChem CID45220917
Molecular FormulaC21H37N3O3
Molecular Weight379.55 g/mol
Exact Mass379.28
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide
SMILESCCN1CCCC1CNC(=O)CCC1CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C21H37N3O3/c1-2-23-11-3-4-19(23)16-22-20(25)6-5-17-7-12-24(13-8-17)21(26)18-9-14-27-15-10-18/h17-19H,2-16H2,1H3,(H,22,25)
InChIKeyIUWIUGAYKXAENC-UHFFFAOYSA-N
XLogP2.03
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide (CID 45220917) is N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide is CCN1CCCC1CNC(=O)CCC1CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is IUWIUGAYKXAENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H37N3O3/c1-2-23-11-3-4-19(23)16-22-20(25)6-5-17-7-12-24(13-8-17)21(26)18-9-14-27-15-10-18/h17-19H,2-16H2,1H3,(H,22,25).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 379.55 g/mol, XLogP of 2.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-(oxane-4-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 45220917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).