N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide

C16H31N3O — CID 83071563

IUPACN-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCCCN1CCC(NC(=O)C2(CC)CCCN2)CC1
InChIInChI=1S/C16H31N3O/c1-3-5-11-19-12-7-14(8-13-19)18-15(20)16(4-2)9-6-10-17-16/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyZJEXIGAOFATHSO-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.90
Rot. Bonds6

About N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide

N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide (PubChem CID 83071563) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide
PubChem CID83071563
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide
SMILESCCCCN1CCC(NC(=O)C2(CC)CCCN2)CC1
InChIInChI=1S/C16H31N3O/c1-3-5-11-19-12-7-14(8-13-19)18-15(20)16(4-2)9-6-10-17-16/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyZJEXIGAOFATHSO-UHFFFAOYSA-N
XLogP1.90
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-N-(1-ethylpiperidin-4-yl)pyrrolidine-2-carboxamide
CID 83071590
2-ethyl-N-(1-methylpiperidin-3-yl)pyrrolidine-2-carboxamide
CID 83071438
N-(azetidin-3-yl)-2-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 130637882
2-ethyl-N-(1-methyl-6-oxopiperidin-3-yl)pyrrolidine-2-carboxamide
CID 83071553
3-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83071541
N-(1-butylpiperidin-4-yl)acetamide
CID 21136025
N-[4-(cyclopropylamino)-4-oxobutyl]-2-ethylpyrrolidine-2-carboxamide
CID 83073445
2-[(2-ethylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 83072401
N-(1-butylpiperidin-4-yl)azepane-2-carboxamide
CID 64561841
N-(1-butylpiperidin-4-yl)-2,2-difluoroacetamide
CID 103515070
2-ethyl-N-(2-methylsulfanylcyclohexyl)pyrrolidine-2-carboxamide
CID 114123001
1-[(1-propylpiperidin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62095589

Frequently Asked Questions

What is the IUPAC name of N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide?
The IUPAC name of N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide (CID 83071563) is N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide is CCCCN1CCC(NC(=O)C2(CC)CCCN2)CC1.
What is the InChIKey of N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide?
The InChIKey is ZJEXIGAOFATHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-3-5-11-19-12-7-14(8-13-19)18-15(20)16(4-2)9-6-10-17-16/h14,17H,3-13H2,1-2H3,(H,18,20).
What are the key properties of N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide?
N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide has a molecular weight of 281.44 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylpiperidin-4-yl)-2-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 83071563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).