1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide

C18H29N5O2 — CID 42373261

IUPAC1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
SMILESC=CCCC(=O)N1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1
InChIInChI=1S/C18H29N5O2/c1-4-5-9-17(24)23-11-7-6-8-15(23)10-12-22-13-16(20-21-22)18(25)19-14(2)3/h4,13-15H,1,5-12H2,2-3H3,(H,19,25)/t15-/m1/s1
InChIKeyOJDQQXZYWJIELI-OAHLLOKOSA-N
MW347.46 g/mol
LogP2.15
Rot. Bonds8

About 1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide

1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide (PubChem CID 42373261) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide.

Molecular Properties

Compound Name1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
PubChem CID42373261
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
SMILESC=CCCC(=O)N1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1
InChIInChI=1S/C18H29N5O2/c1-4-5-9-17(24)23-11-7-6-8-15(23)10-12-22-13-16(20-21-22)18(25)19-14(2)3/h4,13-15H,1,5-12H2,2-3H3,(H,19,25)/t15-/m1/s1
InChIKeyOJDQQXZYWJIELI-OAHLLOKOSA-N
XLogP2.15
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[(2S)-1-(cyclobutanecarbonyl)piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26324957
1-[2-[(2R)-1-[2-(4-methoxyphenyl)acetyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26340900
1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45208411
1-[2-[(2R)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26341710
1-[2-[1-(4-tert-butylbenzoyl)piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45229780
1-[2-[(2S)-1-(dimethylsulfamoyl)piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26403188
1-[2-[(2S)-1-[(4-acetamidophenyl)methyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 26345856
1-[2-[1-(cyclohexanecarbonyl)piperidin-2-yl]ethyl]-N-cyclopropyltriazole-4-carboxamide
CID 45244985
N-cyclopropyl-1-[2-[1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 45247329
1-[2-(methylaminomethyl)piperidin-1-yl]pent-4-en-1-one
CID 63249502
N-cyclopropyl-1-[2-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]ethyl]triazole-4-carboxamide
CID 26358981
1-[2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide
CID 45181529

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?
The IUPAC name of 1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide (CID 42373261) is 1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide.
What is the SMILES notation for 1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?
The canonical SMILES for 1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide is C=CCCC(=O)N1CCCC[C@@H]1CCn1cc(C(=O)NC(C)C)nn1.
What is the InChIKey of 1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?
The InChIKey is OJDQQXZYWJIELI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-4-5-9-17(24)23-11-7-6-8-15(23)10-12-22-13-16(20-21-22)18(25)19-14(2)3/h4,13-15H,1,5-12H2,2-3H3,(H,19,25)/t15-/m1/s1.
What are the key properties of 1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide?
1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-1-pent-4-enoylpiperidin-2-yl]ethyl]-N-propan-2-yltriazole-4-carboxamide is sourced from PubChem (CID 42373261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).