N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide

C20H31N3O4 — CID 46154317

IUPACN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide
SMILESCCCNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H31N3O4/c1-4-9-21-19(25)18(22-17(24)13-14(2)3)15-7-10-23(11-8-15)20(26)16-6-5-12-27-16/h5-6,12,14-15,18H,4,7-11,13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJQTZSYDVWQNZIM-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.19
Rot. Bonds8

About N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide

N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide (PubChem CID 46154317) has the molecular formula C20H31N3O4 and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide
PubChem CID46154317
Molecular FormulaC20H31N3O4
Molecular Weight377.49 g/mol
Exact Mass377.23
IUPAC NameN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide
SMILESCCCNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H31N3O4/c1-4-9-21-19(25)18(22-17(24)13-14(2)3)15-7-10-23(11-8-15)20(26)16-6-5-12-27-16/h5-6,12,14-15,18H,4,7-11,13H2,1-3H3,(H,21,25)(H,22,24)
InChIKeyJQTZSYDVWQNZIM-UHFFFAOYSA-N
XLogP2.19
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide
CID 93197911
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-2-methylbenzamide
CID 46019645
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 46037046
3-methyl-N-[2-(2-methylpropylamino)-2-oxo-1-[1-(2-phenylacetyl)piperidin-4-yl]ethyl]butanamide
CID 46154325
3-methyl-N-[1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 46032262
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199777
3-methyl-N-[(1R)-1-[1-(4-methylbenzoyl)piperidin-4-yl]-2-(2-methylpropylamino)-2-oxoethyl]butanamide
CID 93231303
N-[2-(2-methoxyethylamino)-1-[1-(2-methylbenzoyl)piperidin-4-yl]-2-oxoethyl]-3-methylbutanamide
CID 46032274
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019494
furan-2-yl-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 115686874
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-1,3-benzodioxole-5-carboxamide
CID 93198583

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide?
The IUPAC name of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide (CID 46154317) is N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide?
The canonical SMILES for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide is CCCNC(=O)C(NC(=O)CC(C)C)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide?
The InChIKey is JQTZSYDVWQNZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O4/c1-4-9-21-19(25)18(22-17(24)13-14(2)3)15-7-10-23(11-8-15)20(26)16-6-5-12-27-16/h5-6,12,14-15,18H,4,7-11,13H2,1-3H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide?
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide has a molecular weight of 377.49 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide is sourced from PubChem (CID 46154317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).