N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide

C15H25N3O — CID 106629268

IUPACN,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)c1cccn1CC
InChIInChI=1S/C15H25N3O/c1-3-17-10-6-8-14(17)15(19)18(4-2)12-13-7-5-9-16-11-13/h6,8,10,13,16H,3-5,7,9,11-12H2,1-2H3
InChIKeyUAGIBZHUJAFHTR-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.97
Rot. Bonds5

About N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide

N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide (PubChem CID 106629268) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
PubChem CID106629268
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide
SMILESCCN(CC1CCCNC1)C(=O)c1cccn1CC
InChIInChI=1S/C15H25N3O/c1-3-17-10-6-8-14(17)15(19)18(4-2)12-13-7-5-9-16-11-13/h6,8,10,13,16H,3-5,7,9,11-12H2,1-2H3
InChIKeyUAGIBZHUJAFHTR-UHFFFAOYSA-N
XLogP1.97
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-ethyl-2-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 107098424
5-chloro-N-ethyl-N-(piperidin-3-ylmethyl)furan-2-carboxamide
CID 106629633
3-bromo-2-chloro-N-ethyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629324
2-chloro-N-ethyl-3-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629488
N-ethyl-N-(piperidin-3-ylmethyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893490
N-ethyl-N-(piperidin-3-ylmethyl)propanamide
CID 106629408
1,3-diethyl-1-(piperidin-3-ylmethyl)urea
CID 106629944
benzyl N-ethyl-N-(piperidin-3-ylmethyl)carbamate
CID 66569373
N-ethyl-5-methyl-N-(piperidin-3-ylmethyl)furan-3-carboxamide
CID 106629294
N-ethyl-2-methoxy-5-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629432
4-chloro-N-ethyl-3-methyl-N-(piperidin-3-ylmethyl)benzamide
CID 106629289
3-chloro-N-ethyl-4-fluoro-N-(piperidin-3-ylmethyl)benzamide
CID 106629287

Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide?
The IUPAC name of N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide (CID 106629268) is N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide?
The canonical SMILES for N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide is CCN(CC1CCCNC1)C(=O)c1cccn1CC.
What is the InChIKey of N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide?
The InChIKey is UAGIBZHUJAFHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-3-17-10-6-8-14(17)15(19)18(4-2)12-13-7-5-9-16-11-13/h6,8,10,13,16H,3-5,7,9,11-12H2,1-2H3.
What are the key properties of N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide?
N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-N-(piperidin-3-ylmethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 106629268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).