1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

C18H25N5O4 — CID 155878649

IUPAC1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2ccn(C)n2)CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H25N5O4/c1-22-8-3-15(21-22)20-18(17(25)19-7-12-26-2)5-9-23(10-6-18)16(24)14-4-11-27-13-14/h3-4,8,11,13H,5-7,9-10,12H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyGTEWKUZQKKKICD-UHFFFAOYSA-N
MW375.43 g/mol
LogP0.86
Rot. Bonds7

About 1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide

1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (PubChem CID 155878649) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
PubChem CID155878649
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC Name1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2ccn(C)n2)CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C18H25N5O4/c1-22-8-3-15(21-22)20-18(17(25)19-7-12-26-2)5-9-23(10-6-18)16(24)14-4-11-27-13-14/h3-4,8,11,13H,5-7,9-10,12H2,1-2H3,(H,19,25)(H,20,21)
InChIKeyGTEWKUZQKKKICD-UHFFFAOYSA-N
XLogP0.86
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155877770
1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872456
N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide
CID 155870922
1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155871558
1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155879839
formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155874464
1-(5,6-dimethylpyrimidine-4-carbonyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878559
N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874048
4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide
CID 155876364
[4-[(1-methylpyrazol-3-yl)amino]-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-(1,3-oxazol-4-yl)methanone
CID 155876770
(5S)-9-(furan-3-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98895269
4-ethyl-1-(furan-3-carbonyl)piperidine-4-carboxylic acid
CID 63124826

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The IUPAC name of 1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (CID 155878649) is 1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The canonical SMILES for 1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is COCCNC(=O)C1(Nc2ccn(C)n2)CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The InChIKey is GTEWKUZQKKKICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-22-8-3-15(21-22)20-18(17(25)19-7-12-26-2)5-9-23(10-6-18)16(24)14-4-11-27-13-14/h3-4,8,11,13H,5-7,9-10,12H2,1-2H3,(H,19,25)(H,20,21).
What are the key properties of 1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 155878649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).