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

C14H23N3O — CID 106627150

IUPAC1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)N(C)CC1CCCCN1
InChIInChI=1S/C14H23N3O/c1-3-17-10-6-8-13(17)14(18)16(2)11-12-7-4-5-9-15-12/h6,8,10,12,15H,3-5,7,9,11H2,1-2H3
InChIKeyBAQPWSLKISFVNT-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.72
Rot. Bonds4

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

1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide (PubChem CID 106627150) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide
PubChem CID106627150
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide
SMILESCCn1cccc1C(=O)N(C)CC1CCCCN1
InChIInChI=1S/C14H23N3O/c1-3-17-10-6-8-13(17)14(18)16(2)11-12-7-4-5-9-15-12/h6,8,10,12,15H,3-5,7,9,11H2,1-2H3
InChIKeyBAQPWSLKISFVNT-UHFFFAOYSA-N
XLogP1.72
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971730
2-ethyl-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106607295
N-methyl-2-methylsulfanyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627337
3-(dimethylamino)-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 106627555
3,5-dihydroxy-N-methyl-N-(piperidin-2-ylmethyl)benzamide
CID 107705334
2-hydroxy-N-methyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608014
5-chloro-N-methyl-N-(piperidin-2-ylmethyl)furan-2-carboxamide
CID 106627540
1-ethyl-1,3-dimethyl-3-(piperidin-2-ylmethyl)urea
CID 106629811
N-methyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106607527
N-methyl-N-(piperidin-2-ylmethyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 106627264
N,6-dimethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106607724
N-methyl-4-nitro-1-propyl-N-(pyrrolidin-2-ylmethyl)pyrrole-2-carboxamide
CID 106607667

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of 1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide (CID 106627150) is 1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide is CCn1cccc1C(=O)N(C)CC1CCCCN1.
What is the InChIKey of 1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is BAQPWSLKISFVNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-17-10-6-8-13(17)14(18)16(2)11-12-7-4-5-9-15-12/h6,8,10,12,15H,3-5,7,9,11H2,1-2H3.
What are the key properties of 1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide?
1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-methyl-N-(piperidin-2-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 106627150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).