N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide

C20H29N3O5 — CID 46037046

IUPACN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOCCCNC(=O)C(NC(=O)C1CC1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H29N3O5/c1-27-12-3-9-21-19(25)17(22-18(24)15-5-6-15)14-7-10-23(11-8-14)20(26)16-4-2-13-28-16/h2,4,13-15,17H,3,5-12H2,1H3,(H,21,25)(H,22,24)
InChIKeyOCRIWEBTHCISNJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP1.18
Rot. Bonds9

About N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide

N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 46037046) has the molecular formula C20H29N3O5 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
PubChem CID46037046
Molecular FormulaC20H29N3O5
Molecular Weight391.47 g/mol
Exact Mass391.21
IUPAC NameN-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
SMILESCOCCCNC(=O)C(NC(=O)C1CC1)C1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C20H29N3O5/c1-27-12-3-9-21-19(25)17(22-18(24)15-5-6-15)14-7-10-23(11-8-14)20(26)16-4-2-13-28-16/h2,4,13-15,17H,3,5-12H2,1H3,(H,21,25)(H,22,24)
InChIKeyOCRIWEBTHCISNJ-UHFFFAOYSA-N
XLogP1.18
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-[1-(cyclopentanecarbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 46037052
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propylamino)ethyl]-3-methylbutanamide
CID 46154317
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-(3-methoxybenzoyl)piperidin-4-yl]-2-(2-methoxyethylamino)-2-oxoethyl]cyclopropanecarboxamide
CID 42847712
1-(furan-2-carbonyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 9374659
(3S)-N-(3-ethoxypropyl)-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32623768
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxo-2-(propan-2-ylamino)ethyl]-4-methoxybenzamide
CID 46019494
furan-2-yl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150870
4-[(1S)-1-benzamido-2-(3-methoxypropylamino)-2-oxoethyl]-N-ethylpiperidine-1-carboxamide
CID 93183233
(3S)-1-(furan-2-carbonyl)-N-(3-propan-2-yloxypropyl)piperidine-3-carboxamide
CID 35823539
N-[(1S)-2-[[(2S)-butan-2-yl]amino]-1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-oxoethyl]-4-methylbenzamide
CID 93199777

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide (CID 46037046) is N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide is COCCCNC(=O)C(NC(=O)C1CC1)C1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is OCRIWEBTHCISNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O5/c1-27-12-3-9-21-19(25)17(22-18(24)15-5-6-15)14-7-10-23(11-8-14)20(26)16-4-2-13-28-16/h2,4,13-15,17H,3,5-12H2,1H3,(H,21,25)(H,22,24).
What are the key properties of N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide?
N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 391.47 g/mol, XLogP of 1.18, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(furan-2-carbonyl)piperidin-4-yl]-2-(3-methoxypropylamino)-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 46037046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).