1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide

C23H37N3O — CID 56569542

IUPAC1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2cc(C)n(C3CCCCC3)c2C)CC1
InChIInChI=1S/C23H37N3O/c1-17(2)10-13-25-14-11-20(12-15-25)24-23(27)22-16-18(3)26(19(22)4)21-8-6-5-7-9-21/h10,16,20-21H,5-9,11-15H2,1-4H3,(H,24,27)
InChIKeyGKDZSIWEXCPKBL-UHFFFAOYSA-N
MW371.57 g/mol
LogP4.77
Rot. Bonds5

About 1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide

1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide (PubChem CID 56569542) has the molecular formula C23H37N3O and a molecular weight of 371.57 g/mol. Its IUPAC name is 1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
PubChem CID56569542
Molecular FormulaC23H37N3O
Molecular Weight371.57 g/mol
Exact Mass371.29
IUPAC Name1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
SMILESCC(C)=CCN1CCC(NC(=O)c2cc(C)n(C3CCCCC3)c2C)CC1
InChIInChI=1S/C23H37N3O/c1-17(2)10-13-25-14-11-20(12-15-25)24-23(27)22-16-18(3)26(19(22)4)21-8-6-5-7-9-21/h10,16,20-21H,5-9,11-15H2,1-4H3,(H,24,27)
InChIKeyGKDZSIWEXCPKBL-UHFFFAOYSA-N
XLogP4.77
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide?
The IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide (CID 56569542) is 1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide is CC(C)=CCN1CCC(NC(=O)c2cc(C)n(C3CCCCC3)c2C)CC1.
What is the InChIKey of 1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide?
The InChIKey is GKDZSIWEXCPKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O/c1-17(2)10-13-25-14-11-20(12-15-25)24-23(27)22-16-18(3)26(19(22)4)21-8-6-5-7-9-21/h10,16,20-21H,5-9,11-15H2,1-4H3,(H,24,27).
What are the key properties of 1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide?
1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide has a molecular weight of 371.57 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 56569542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).