1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

C18H24N4O2S — CID 155872915

IUPAC1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESO=C(C1CC=CC1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1
InChIInChI=1S/C18H24N4O2S/c23-15(13-3-1-2-4-13)22-10-7-18(8-11-22,16(24)20-14-5-6-14)21-17-19-9-12-25-17/h1-2,9,12-14H,3-8,10-11H2,(H,19,21)(H,20,24)
InChIKeyGVFWSQIBCHQCTA-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.16
Rot. Bonds5

About 1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide

1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (PubChem CID 155872915) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
PubChem CID155872915
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
SMILESO=C(C1CC=CC1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1
InChIInChI=1S/C18H24N4O2S/c23-15(13-3-1-2-4-13)22-10-7-18(8-11-22,16(24)20-14-5-6-14)21-17-19-9-12-25-17/h1-2,9,12-14H,3-8,10-11H2,(H,19,21)(H,20,24)
InChIKeyGVFWSQIBCHQCTA-UHFFFAOYSA-N
XLogP2.16
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-1-(2-ethoxyacetyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874284
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
N-cyclopropyl-1-[(4-methylphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873343
N-cyclopropyl-1-[2-(1-methylpyrazol-3-yl)acetyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155858205
N-cyclopropyl-1-(3-methoxy-1,2-oxazole-5-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155874265
N-cyclopropyl-1-[(4-methoxyphenyl)methyl]-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873799
N-(2-methoxyethyl)-1-(oxane-4-carbonyl)-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide
CID 155873927
1-N-cyclopropyl-4-N-(1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide
CID 47245076
1-cyclopropyl-3-(1,3-thiazol-2-yl)urea
CID 108887577
N-(2-methoxyethyl)-4-(1,3-thiazol-2-ylamino)-1-(thiophene-3-carbonyl)piperidine-4-carboxamide
CID 155874048
(1S)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]cyclohex-3-ene-1-carboxamide
CID 97415247

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The IUPAC name of 1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide (CID 155872915) is 1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is O=C(C1CC=CC1)N1CCC(Nc2nccs2)(C(=O)NC2CC2)CC1.
What is the InChIKey of 1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
The InChIKey is GVFWSQIBCHQCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c23-15(13-3-1-2-4-13)22-10-7-18(8-11-22,16(24)20-14-5-6-14)21-17-19-9-12-25-17/h1-2,9,12-14H,3-8,10-11H2,(H,19,21)(H,20,24).
What are the key properties of 1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide?
1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide has a molecular weight of 360.48 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopent-3-ene-1-carbonyl)-N-cyclopropyl-4-(1,3-thiazol-2-ylamino)piperidine-4-carboxamide is sourced from PubChem (CID 155872915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).