1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride

C18H30ClN3O — CID 119425757

IUPAC1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCNC2)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-13-11-17(18(22)20-15-7-6-10-19-12-15)14(2)21(13)16-8-4-3-5-9-16;/h11,15-16,19H,3-10,12H2,1-2H3,(H,20,22);1H
InChIKeyIPMDIMHFGFBDBK-UHFFFAOYSA-N
MW339.91 g/mol
LogP3.51
Rot. Bonds3

About 1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride

1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride (PubChem CID 119425757) has the molecular formula C18H30ClN3O and a molecular weight of 339.91 g/mol. Its IUPAC name is 1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride
PubChem CID119425757
Molecular FormulaC18H30ClN3O
Molecular Weight339.91 g/mol
Exact Mass339.21
IUPAC Name1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride
SMILESCc1cc(C(=O)NC2CCCNC2)c(C)n1C1CCCCC1.Cl
InChIInChI=1S/C18H29N3O.ClH/c1-13-11-17(18(22)20-15-7-6-10-19-12-15)14(2)21(13)16-8-4-3-5-9-16;/h11,15-16,19H,3-10,12H2,1-2H3,(H,20,22);1H
InChIKeyIPMDIMHFGFBDBK-UHFFFAOYSA-N
XLogP3.51
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.91
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-2,5-dimethyl-N-(2-piperidin-3-ylethyl)pyrrole-3-carboxamide;hydrochloride
CID 119556387
N-(8-azabicyclo[3.2.1]octan-3-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119456498
1-cyclohexyl-2,5-dimethyl-N-(1-methylsulfonylpiperidin-3-yl)pyrrole-3-carboxamide
CID 47909167
2,5-dimethyl-N-piperidin-3-yl-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide;dihydrochloride
CID 119427645
1-cyclohexyl-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 56569542
N-(2-aminoethyl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide
CID 119383110
2,5-dimethyl-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119427545
N-(1-amino-2-methylpropan-2-yl)-1-cyclohexyl-2,5-dimethylpyrrole-3-carboxamide;hydrochloride
CID 119522503
1-cyclohexyl-2,5-dimethyl-N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 71935809
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-piperazin-1-ylmethanone
CID 119401244
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
2,5-dimethyl-1-(2-methylphenyl)-N-pyrrolidin-3-ylpyrrole-3-carboxamide;hydrochloride
CID 119453913

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride?
The IUPAC name of 1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride (CID 119425757) is 1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride?
The canonical SMILES for 1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride is Cc1cc(C(=O)NC2CCCNC2)c(C)n1C1CCCCC1.Cl.
What is the InChIKey of 1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride?
The InChIKey is IPMDIMHFGFBDBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O.ClH/c1-13-11-17(18(22)20-15-7-6-10-19-12-15)14(2)21(13)16-8-4-3-5-9-16;/h11,15-16,19H,3-10,12H2,1-2H3,(H,20,22);1H.
What are the key properties of 1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride?
1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride has a molecular weight of 339.91 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2,5-dimethyl-N-piperidin-3-ylpyrrole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119425757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).