4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide

C15H24ClN3O — CID 63628711

IUPAC4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)NCCC1CCCNC1
InChIInChI=1S/C15H24ClN3O/c1-11(2)19-10-13(16)8-14(19)15(20)18-7-5-12-4-3-6-17-9-12/h8,10-12,17H,3-7,9H2,1-2H3,(H,18,20)
InChIKeyJZUKXLPZEWDXFR-UHFFFAOYSA-N
MW297.83 g/mol
LogP2.84
Rot. Bonds5

About 4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide

4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide (PubChem CID 63628711) has the molecular formula C15H24ClN3O and a molecular weight of 297.83 g/mol. Its IUPAC name is 4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
PubChem CID63628711
Molecular FormulaC15H24ClN3O
Molecular Weight297.83 g/mol
Exact Mass297.16
IUPAC Name4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide
SMILESCC(C)n1cc(Cl)cc1C(=O)NCCC1CCCNC1
InChIInChI=1S/C15H24ClN3O/c1-11(2)19-10-13(16)8-14(19)15(20)18-7-5-12-4-3-6-17-9-12/h8,10-12,17H,3-7,9H2,1-2H3,(H,18,20)
InChIKeyJZUKXLPZEWDXFR-UHFFFAOYSA-N
XLogP2.84
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.83
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2-cyclopentylethyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 54932690
5-(2-cyclobutylethylcarbamoyl)-1-propan-2-ylpyrrole-3-sulfonyl chloride
CID 114611549
1-methyl-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-3-carboxamide;hydrochloride
CID 119556680
3-chloro-N-(2-piperidin-3-ylethyl)benzamide
CID 63628186
1-(4-chlorophenyl)-N-(2-piperidin-3-ylethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119556429
1-ethyl-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide
CID 119556637
2-chloro-4-methyl-N-(2-piperidin-3-ylethyl)benzamide
CID 106862146
2-[(4-chlorophenyl)sulfonylamino]-N-(2-piperidin-3-ylethyl)propanamide
CID 119557382
6-methyl-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 119555058
1-(2,4-dichlorophenyl)-N-(2-piperidin-3-ylethyl)pyrazole-4-carboxamide;hydrochloride
CID 119559418
1-methyl-N-(2-piperidin-3-ylethyl)-4-piperidin-1-ylsulfonylpyrrole-2-carboxamide
CID 119555768
4-chloro-3-fluoro-N-(2-piperidin-3-ylethyl)benzamide
CID 107990343

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide (CID 63628711) is 4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide is CC(C)n1cc(Cl)cc1C(=O)NCCC1CCCNC1.
What is the InChIKey of 4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide?
The InChIKey is JZUKXLPZEWDXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O/c1-11(2)19-10-13(16)8-14(19)15(20)18-7-5-12-4-3-6-17-9-12/h8,10-12,17H,3-7,9H2,1-2H3,(H,18,20).
What are the key properties of 4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide?
4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide has a molecular weight of 297.83 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-piperidin-3-ylethyl)-1-propan-2-ylpyrrole-2-carboxamide is sourced from PubChem (CID 63628711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).