formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

C19H30N6O6S — CID 155874464

IUPACformic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2ccn(C)n2)CCN(Cc2nccs2)CC1.O=CO.O=CO
InChIInChI=1S/C17H26N6O2S.2CH2O2/c1-22-8-3-14(21-22)20-17(16(24)19-6-11-25-2)4-9-23(10-5-17)13-15-18-7-12-26-15;2*2-1-3/h3,7-8,12H,4-6,9-11,13H2,1-2H3,(H,19,24)(H,20,21);2*1H,(H,2,3)
InChIKeyMQKRXWXWJMNIRL-UHFFFAOYSA-N
MW470.55 g/mol
LogP0.49
Rot. Bonds8

About formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide

formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 155874464) has the molecular formula C19H30N6O6S and a molecular weight of 470.55 g/mol. Its IUPAC name is formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Nameformic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
PubChem CID155874464
Molecular FormulaC19H30N6O6S
Molecular Weight470.55 g/mol
Exact Mass470.19
IUPAC Nameformic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2ccn(C)n2)CCN(Cc2nccs2)CC1.O=CO.O=CO
InChIInChI=1S/C17H26N6O2S.2CH2O2/c1-22-8-3-14(21-22)20-17(16(24)19-6-11-25-2)4-9-23(10-5-17)13-15-18-7-12-26-15;2*2-1-3/h3,7-8,12H,4-6,9-11,13H2,1-2H3,(H,19,24)(H,20,21);2*1H,(H,2,3)
InChIKeyMQKRXWXWJMNIRL-UHFFFAOYSA-N
XLogP0.49
TPSA158.91 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

1-(furan-3-ylmethyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155877770
1-(2-ethylbutyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155871558
N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-methylsulfonylpiperidine-4-carboxamide
CID 155870922
1-cyclopropylsulfonyl-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155879839
1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872456
1-(furan-3-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155878649
N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873912
4-(3-fluoroanilino)-N-methyl-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 155873313
(3aS,7aS)-N-(2-methoxyethyl)-5-(1,3-thiazol-2-ylmethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridine-3a-carboxamide
CID 124791125
N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874048
formic acid;4-imidazol-1-yl-N-(2-methoxyethyl)-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 155875558
4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid
CID 171693395

Frequently Asked Questions

What is the IUPAC name of formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide (CID 155874464) is formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is COCCNC(=O)C1(Nc2ccn(C)n2)CCN(Cc2nccs2)CC1.O=CO.O=CO.
What is the InChIKey of formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is MQKRXWXWJMNIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2S.2CH2O2/c1-22-8-3-14(21-22)20-17(16(24)19-6-11-25-2)4-9-23(10-5-17)13-15-18-7-12-26-15;2*2-1-3/h3,7-8,12H,4-6,9-11,13H2,1-2H3,(H,19,24)(H,20,21);2*1H,(H,2,3).
What are the key properties of formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide?
formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 0.49, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]-1-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 155874464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).