N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

C18H28N4O4S — CID 155873927

IUPACN-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2nccs2)CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C18H28N4O4S/c1-25-12-6-19-16(24)18(21-17-20-7-13-27-17)4-8-22(9-5-18)15(23)14-2-10-26-11-3-14/h7,13-14H,2-6,8-12H2,1H3,(H,19,24)(H,20,21)
InChIKeyUEHBLGRFEQAHAQ-UHFFFAOYSA-N
MW396.51 g/mol
LogP1.11
Rot. Bonds7

About N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (PubChem CID 155873927) has the molecular formula C18H28N4O4S and a molecular weight of 396.51 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
PubChem CID155873927
Molecular FormulaC18H28N4O4S
Molecular Weight396.51 g/mol
Exact Mass396.18
IUPAC NameN-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2nccs2)CCN(C(=O)C2CCOCC2)CC1
InChIInChI=1S/C18H28N4O4S/c1-25-12-6-19-16(24)18(21-17-20-7-13-27-17)4-8-22(9-5-18)15(23)14-2-10-26-11-3-14/h7,13-14H,2-6,8-12H2,1H3,(H,19,24)(H,20,21)
InChIKeyUEHBLGRFEQAHAQ-UHFFFAOYSA-N
XLogP1.11
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.51
LogP ≤ 51.11
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-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874048
N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873912
1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155872915
1-(cyclopent-3-ene-1-carbonyl)-N-(2-methoxyethyl)-4-[(1-methylpyrazol-3-yl)amino]piperidine-4-carboxamide
CID 155872456
N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874284
N-cyclopropyl-1-(3-methoxy-1,2-oxazole-5-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874265
4-anilino-N-(2-methoxyethyl)-1-(oxan-4-ylmethyl)piperidine-4-carboxamide;formic acid
CID 171693395
(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-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155872689
2-(2-methoxyethyl)-8-(oxane-4-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98896376
N-cyclopropyl-1-(6-methylpyridine-3-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873367
N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873799

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (CID 155873927) is N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)C2CCOCC2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The InChIKey is UEHBLGRFEQAHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O4S/c1-25-12-6-19-16(24)18(21-17-20-7-13-27-17)4-8-22(9-5-18)15(23)14-2-10-26-11-3-14/h7,13-14H,2-6,8-12H2,1H3,(H,19,24)(H,20,21).
What are the key properties of N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide has a molecular weight of 396.51 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 155873927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).