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

C17H22N4O3S2 — CID 155874048

IUPACN-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2nccs2)CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C17H22N4O3S2/c1-24-9-5-18-15(23)17(20-16-19-6-11-26-16)3-7-21(8-4-17)14(22)13-2-10-25-12-13/h2,6,10-12H,3-5,7-9H2,1H3,(H,18,23)(H,19,20)
InChIKeyXDGPVBCDUHFTNO-UHFFFAOYSA-N
MW394.52 g/mol
LogP2.05
Rot. Bonds7

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

N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide (PubChem CID 155874048) has the molecular formula C17H22N4O3S2 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
PubChem CID155874048
Molecular FormulaC17H22N4O3S2
Molecular Weight394.52 g/mol
Exact Mass394.11
IUPAC NameN-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
SMILESCOCCNC(=O)C1(Nc2nccs2)CCN(C(=O)c2ccsc2)CC1
InChIInChI=1S/C17H22N4O3S2/c1-24-9-5-18-15(23)17(20-16-19-6-11-26-16)3-7-21(8-4-17)14(22)13-2-10-25-12-13/h2,6,10-12H,3-5,7-9H2,1H3,(H,18,23)(H,19,20)
InChIKeyXDGPVBCDUHFTNO-UHFFFAOYSA-N
XLogP2.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 52.05
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)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873927
N-(2-methoxyethyl)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873912
N-cyclopropyl-1-(6-methylpyridine-3-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873367
N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155872689
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
(3R)-N-(2-methoxyethyl)-1-[1-(thiophene-3-carbonyl)piperidin-4-yl]piperidine-3-carboxamide
CID 95557399
N-cyclopropyl-1-(3-methoxy-1,2-oxazole-5-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874265
N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874284
N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873799
N-(cyclopropylmethyl)-4-pyrazol-1-yl-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874544
[2-(2-methoxyethoxy)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]-thiophen-3-ylmethanone
CID 91917893

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide (CID 155874048) is N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide is COCCNC(=O)C1(Nc2nccs2)CCN(C(=O)c2ccsc2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is XDGPVBCDUHFTNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3S2/c1-24-9-5-18-15(23)17(20-16-19-6-11-26-16)3-7-21(8-4-17)14(22)13-2-10-25-12-13/h2,6,10-12H,3-5,7-9H2,1H3,(H,18,23)(H,19,20).
What are the key properties of N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide?
N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 394.52 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 155874048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).