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

C16H27N5O4S — CID 155879839

IUPAC1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2ccn(C)n2)CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H27N5O4S/c1-20-9-5-14(19-20)18-16(15(22)17-8-12-25-2)6-10-21(11-7-16)26(23,24)13-3-4-13/h5,9,13H,3-4,6-8,10-12H2,1-2H3,(H,17,22)(H,18,19)
InChIKeyGFYJFOBGIIMHEA-UHFFFAOYSA-N
MW385.49 g/mol
LogP-0.08
Rot. Bonds8

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

1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (PubChem CID 155879839) has the molecular formula C16H27N5O4S and a molecular weight of 385.49 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
PubChem CID155879839
Molecular FormulaC16H27N5O4S
Molecular Weight385.49 g/mol
Exact Mass385.18
IUPAC Name1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2ccn(C)n2)CCN(S(=O)(=O)C2CC2)CC1
InChIInChI=1S/C16H27N5O4S/c1-20-9-5-14(19-20)18-16(15(22)17-8-12-25-2)6-10-21(11-7-16)26(23,24)13-3-4-13/h5,9,13H,3-4,6-8,10-12H2,1-2H3,(H,17,22)(H,18,19)
InChIKeyGFYJFOBGIIMHEA-UHFFFAOYSA-N
XLogP-0.08
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 5-0.08
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

N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide
CID 155870922
1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872456
1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155871558
1-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155877770
1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878649
formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155874464
N-methyl-4-[(1-methylpyrazol-3-yl)amino]-1-(3-methylsulfonylpropanoyl)piperidine-4-carboxamide
CID 155872749
4-anilino-N-(2-methoxyethyl)-1-propanoylpiperidine-4-carboxamide
CID 155876364
N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878996
1-(5,6-dimethylpyrimidine-4-carbonyl)-N-methyl-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878559
4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid
CID 171693395
1-cyclopropylsulfonyl-4-[[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-yl]amino]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 134224972

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The IUPAC name of 1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide (CID 155879839) is 1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide.
What is the SMILES notation for 1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The canonical SMILES for 1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is COCCNC(=O)C1(Nc2ccn(C)n2)CCN(S(=O)(=O)C2CC2)CC1.
What is the InChIKey of 1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
The InChIKey is GFYJFOBGIIMHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O4S/c1-20-9-5-14(19-20)18-16(15(22)17-8-12-25-2)6-10-21(11-7-16)26(23,24)13-3-4-13/h5,9,13H,3-4,6-8,10-12H2,1-2H3,(H,17,22)(H,18,19).
What are the key properties of 1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide?
1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide has a molecular weight of 385.49 g/mol, XLogP of -0.08, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide is sourced from PubChem (CID 155879839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).