N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride

C13H22ClN3O — CID 119443966

IUPACN,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C2CCNCC2)n1C.Cl
InChIInChI=1S/C13H21N3O.ClH/c1-10-4-5-12(15(10)2)13(17)16(3)11-6-8-14-9-7-11;/h4-5,11,14H,6-9H2,1-3H3;1H
InChIKeyLLNAAWTXTOCQPD-UHFFFAOYSA-N
MW271.79 g/mol
LogP1.58
Rot. Bonds2

About N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride

N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride (PubChem CID 119443966) has the molecular formula C13H22ClN3O and a molecular weight of 271.79 g/mol. Its IUPAC name is N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride
PubChem CID119443966
Molecular FormulaC13H22ClN3O
Molecular Weight271.79 g/mol
Exact Mass271.15
IUPAC NameN,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride
SMILESCc1ccc(C(=O)N(C)C2CCNCC2)n1C.Cl
InChIInChI=1S/C13H21N3O.ClH/c1-10-4-5-12(15(10)2)13(17)16(3)11-6-8-14-9-7-11;/h4-5,11,14H,6-9H2,1-3H3;1H
InChIKeyLLNAAWTXTOCQPD-UHFFFAOYSA-N
XLogP1.58
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,1,5-trimethyl-N-pyrrolidin-3-ylpyrrole-2-carboxamide;hydrochloride
CID 119553915
N-(azepan-4-yl)-N,1-dimethylpyrrole-2-carboxamide
CID 104974495
2-fluoro-N,4-dimethyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443710
2,4-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443342
2,6-difluoro-N,3-dimethyl-N-piperidin-4-ylbenzamide
CID 82816537
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
N,3,5-trimethyl-N-piperidin-4-ylbenzamide
CID 43602069
3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 66121344
2,3-difluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444296
N-methyl-4-(5-methylfuran-2-yl)-N-piperidin-4-ylbenzamide;hydrochloride
CID 154900847
2,3,4-trifluoro-N-methyl-N-piperidin-4-ylbenzamide
CID 79750025
2-bromo-5-fluoro-N-methyl-N-piperidin-4-ylbenzamide;hydrochloride
CID 119444450

Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride?
The IUPAC name of N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride (CID 119443966) is N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride.
What is the SMILES notation for N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride?
The canonical SMILES for N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride is Cc1ccc(C(=O)N(C)C2CCNCC2)n1C.Cl.
What is the InChIKey of N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride?
The InChIKey is LLNAAWTXTOCQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.ClH/c1-10-4-5-12(15(10)2)13(17)16(3)11-6-8-14-9-7-11;/h4-5,11,14H,6-9H2,1-3H3;1H.
What are the key properties of N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride?
N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride has a molecular weight of 271.79 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethyl-N-piperidin-4-ylpyrrole-2-carboxamide;hydrochloride is sourced from PubChem (CID 119443966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).