4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide

C14H22ClN3O — CID 106626232

IUPAC4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCN(CC1CCCCN1)C(=O)c1cc(Cl)cn1C
InChIInChI=1S/C14H22ClN3O/c1-3-18(10-12-6-4-5-7-16-12)14(19)13-8-11(15)9-17(13)2/h8-9,12,16H,3-7,10H2,1-2H3
InChIKeyPTQLWKDIDGLZQS-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.28
Rot. Bonds4

About 4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide

4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 106626232) has the molecular formula C14H22ClN3O and a molecular weight of 283.80 g/mol. Its IUPAC name is 4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID106626232
Molecular FormulaC14H22ClN3O
Molecular Weight283.80 g/mol
Exact Mass283.15
IUPAC Name4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCN(CC1CCCCN1)C(=O)c1cc(Cl)cn1C
InChIInChI=1S/C14H22ClN3O/c1-3-18(10-12-6-4-5-7-16-12)14(19)13-8-11(15)9-17(13)2/h8-9,12,16H,3-7,10H2,1-2H3
InChIKeyPTQLWKDIDGLZQS-UHFFFAOYSA-N
XLogP2.28
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106610041
4-chloro-N-(2-hydroxyethyl)-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106612792
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
N-ethyl-5-methyl-N-(piperidin-2-ylmethyl)pyridine-3-carboxamide
CID 106626172
4,5-dichloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)-1H-pyrrole-2-carboxamide
CID 106608927
4-chloro-N-propan-2-yl-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106609933
N-ethyl-1,3,5-trimethyl-N-(piperidin-2-ylmethyl)pyrazole-4-carboxamide
CID 106626233
2-methyl-N-(piperidin-2-ylmethyl)-N-propylpyrazole-3-carboxamide
CID 106625760
2-chloro-N-ethyl-3-fluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626140
4-chloro-1-ethyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106609823
N-ethyl-2,6-difluoro-N-(piperidin-2-ylmethyl)benzamide
CID 106626235

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide (CID 106626232) is 4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide is CCN(CC1CCCCN1)C(=O)c1cc(Cl)cn1C.
What is the InChIKey of 4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is PTQLWKDIDGLZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClN3O/c1-3-18(10-12-6-4-5-7-16-12)14(19)13-8-11(15)9-17(13)2/h8-9,12,16H,3-7,10H2,1-2H3.
What are the key properties of 4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide?
4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 283.80 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-1-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 106626232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).