(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone

C19H31N3O — CID 119561064

IUPAC(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)CC1
InChIInChI=1S/C19H31N3O/c1-14-13-18(15(2)22(14)17-7-5-4-6-8-17)19(23)21-11-9-16(20-3)10-12-21/h13,16-17,20H,4-12H2,1-3H3
InChIKeyHKCFAUDRHQZCOS-UHFFFAOYSA-N
MW317.48 g/mol
LogP3.43
Rot. Bonds3

About (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone

(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone (PubChem CID 119561064) has the molecular formula C19H31N3O and a molecular weight of 317.48 g/mol. Its IUPAC name is (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
PubChem CID119561064
Molecular FormulaC19H31N3O
Molecular Weight317.48 g/mol
Exact Mass317.25
IUPAC Name(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone
SMILESCNC1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)CC1
InChIInChI=1S/C19H31N3O/c1-14-13-18(15(2)22(14)17-7-5-4-6-8-17)19(23)21-11-9-16(20-3)10-12-21/h13,16-17,20H,4-12H2,1-3H3
InChIKeyHKCFAUDRHQZCOS-UHFFFAOYSA-N
XLogP3.43
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The IUPAC name of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone (CID 119561064) is (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The canonical SMILES for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone is CNC1CCN(C(=O)c2cc(C)n(C3CCCCC3)c2C)CC1.
What is the InChIKey of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
The InChIKey is HKCFAUDRHQZCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O/c1-14-13-18(15(2)22(14)17-7-5-4-6-8-17)19(23)21-11-9-16(20-3)10-12-21/h13,16-17,20H,4-12H2,1-3H3.
What are the key properties of (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone?
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone has a molecular weight of 317.48 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-[4-(methylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 119561064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).