1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide

C18H31N3O3 — CID 131911120

IUPAC1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide
SMILESCCCN1CC(NC(=O)C2CCN(C3CCOCC3)CC2)CC1=O
InChIInChI=1S/C18H31N3O3/c1-2-7-21-13-15(12-17(21)22)19-18(23)14-3-8-20(9-4-14)16-5-10-24-11-6-16/h14-16H,2-13H2,1H3,(H,19,23)
InChIKeyHKFAIUHMBRWXLP-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.00
Rot. Bonds5

About 1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide

1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide (PubChem CID 131911120) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide
PubChem CID131911120
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide
SMILESCCCN1CC(NC(=O)C2CCN(C3CCOCC3)CC2)CC1=O
InChIInChI=1S/C18H31N3O3/c1-2-7-21-13-15(12-17(21)22)19-18(23)14-3-8-20(9-4-14)16-5-10-24-11-6-16/h14-16H,2-13H2,1H3,(H,19,23)
InChIKeyHKFAIUHMBRWXLP-UHFFFAOYSA-N
XLogP1.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-isobutyl-3-oxopiperazin-2-yl)-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 16190692
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 91922998
N-(1-cyclopentylpyrrolidin-3-yl)-3-methyl-2-(oxan-4-ylamino)butanamide
CID 71991296
(3-aminopiperidin-4-yl)-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]methanone
CID 135291690
N-[1-(2,2-dimethylpropyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45203587
N-(oxan-4-yl)-1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidine-3-carboxamide
CID 165431543
N-(oxan-4-yl)-2-{1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-4-yl}acetamide
CID 165431645
2-(1-cyclopentyl-3-oxopiperazin-2-yl)-N-methyl-N-[2-(oxan-4-yl)ethyl]acetamide
CID 45194367
2-(1-isobutyl-3-oxo-2-piperazinyl)-N-methyl-N-(tetrahydro-2H-pyran-4-yl)acetamide
CID 45206857
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(tetrahydro-2H-pyran-4-ylcarbonyl)-4-piperidinyl]propanamide
CID 45220917
N-[1-(cyclohexylmethyl)-5-oxo-3-pyrrolidinyl]tetrahydro-2H-pyran-4-carboxamide
CID 45227367
N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-[1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl]propanamide
CID 45238288

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide (CID 131911120) is 1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide is CCCN1CC(NC(=O)C2CCN(C3CCOCC3)CC2)CC1=O.
What is the InChIKey of 1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide?
The InChIKey is HKFAIUHMBRWXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-2-7-21-13-15(12-17(21)22)19-18(23)14-3-8-20(9-4-14)16-5-10-24-11-6-16/h14-16H,2-13H2,1H3,(H,19,23).
What are the key properties of 1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide?
1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide has a molecular weight of 337.46 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-(5-oxo-1-propylpyrrolidin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 131911120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).