N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

C16H24N4O3S — CID 155874284

IUPACN-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1
InChIInChI=1S/C16H24N4O3S/c1-2-23-11-13(21)20-8-5-16(6-9-20,14(22)18-12-3-4-12)19-15-17-7-10-24-15/h7,10,12H,2-6,8-9,11H2,1H3,(H,17,19)(H,18,22)
InChIKeyTWBFJIHAUPXNTN-UHFFFAOYSA-N
MW352.46 g/mol
LogP1.23
Rot. Bonds7

About N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (PubChem CID 155874284) has the molecular formula C16H24N4O3S and a molecular weight of 352.46 g/mol. Its IUPAC name is N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
PubChem CID155874284
Molecular FormulaC16H24N4O3S
Molecular Weight352.46 g/mol
Exact Mass352.16
IUPAC NameN-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESCCOCC(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1
InChIInChI=1S/C16H24N4O3S/c1-2-23-11-13(21)20-8-5-16(6-9-20,14(22)18-12-3-4-12)19-15-17-7-10-24-15/h7,10,12H,2-6,8-9,11H2,1H3,(H,17,19)(H,18,22)
InChIKeyTWBFJIHAUPXNTN-UHFFFAOYSA-N
XLogP1.23
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155872915
N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)acetyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155858205
N-cyclopropyl-1-(4-methylthiophene-2-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155872689
N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873343
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
N-cyclopropyl-1-(3-methoxy-1,2-oxazole-5-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874265
2-ethoxy-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60708282
N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873927
N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874048
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (CID 155874284) is N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is CCOCC(=O)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The InChIKey is TWBFJIHAUPXNTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S/c1-2-23-11-13(21)20-8-5-16(6-9-20,14(22)18-12-3-4-12)19-15-17-7-10-24-15/h7,10,12H,2-6,8-9,11H2,1H3,(H,17,19)(H,18,22).
What are the key properties of N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide has a molecular weight of 352.46 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 155874284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).