4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide

C12H18ClN3O — CID 141113971

IUPAC4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESCCc1[nH]c(C(=O)NC2CCNCC2)cc1Cl
InChIInChI=1S/C12H18ClN3O/c1-2-10-9(13)7-11(16-10)12(17)15-8-3-5-14-6-4-8/h7-8,14,16H,2-6H2,1H3,(H,15,17)
InChIKeyGGHWFEJJGBCDMA-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.71
Rot. Bonds3

About 4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide

4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (PubChem CID 141113971) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
PubChem CID141113971
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
SMILESCCc1[nH]c(C(=O)NC2CCNCC2)cc1Cl
InChIInChI=1S/C12H18ClN3O/c1-2-10-9(13)7-11(16-10)12(17)15-8-3-5-14-6-4-8/h7-8,14,16H,2-6H2,1H3,(H,15,17)
InChIKeyGGHWFEJJGBCDMA-UHFFFAOYSA-N
XLogP1.71
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-chlorophenyl)-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
CID 119387033
2,5-dichloro-N-piperidin-4-ylbenzamide
CID 43345741
2-chloro-4,5-difluoro-N-piperidin-4-ylbenzamide
CID 119388800
N-(azepan-4-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 105060146
2-chloro-5-(3-methylbutanoylamino)-N-piperidin-4-ylbenzamide
CID 119386824
N-piperidin-4-yl-4-propanoylbenzamide
CID 119388743
5-ethyl-N-piperidin-4-ylfuran-2-carboxamide
CID 78981214
2-chloro-5-(3,3-dimethylbutanoylamino)-N-piperidin-4-ylbenzamide;hydrochloride
CID 119390511
4-bromo-5-chloro-N-cyclopropyl-1H-pyrrole-2-carboxamide
CID 131086313
2,5-dichloro-N-piperidin-4-ylthiophene-3-carboxamide;hydrochloride
CID 119387750
4-amino-5-chloro-2,3-dimethoxy-N-piperidin-4-ylbenzamide
CID 53429651
4-(2-ethyl-6-fluorobenzoyl)-N-piperidin-4-yl-1H-pyrrole-2-carboxamide
CID 118959101

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide (CID 141113971) is 4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is CCc1[nH]c(C(=O)NC2CCNCC2)cc1Cl.
What is the InChIKey of 4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
The InChIKey is GGHWFEJJGBCDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-2-10-9(13)7-11(16-10)12(17)15-8-3-5-14-6-4-8/h7-8,14,16H,2-6H2,1H3,(H,15,17).
What are the key properties of 4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide?
4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide has a molecular weight of 255.75 g/mol, XLogP of 1.71, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethyl-N-piperidin-4-yl-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 141113971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).