1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide

C14H26N2O — CID 67293974

IUPAC1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CCC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C14H26N2O/c1-14(2,3)16-9-8-11(10-16)13(17)15-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyVOVINCBWEHREQF-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.17
Rot. Bonds2

About 1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide

1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide (PubChem CID 67293974) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide
PubChem CID67293974
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide
SMILESCC(C)(C)N1CCC(C(=O)NC2CCCC2)C1
InChIInChI=1S/C14H26N2O/c1-14(2,3)16-9-8-11(10-16)13(17)15-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyVOVINCBWEHREQF-UHFFFAOYSA-N
XLogP2.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-tert-butyl-N-methylpyrrolidine-3-carboxamide
CID 129035159
1-tert-butyl-N-methylpiperidine-3-carboxamide
CID 165376853
(3R)-N-cyclohexyl-1-methylpiperidine-3-carboxamide
CID 95183728
(3S)-1-tert-butylpyrrolidine-3-carboxamide
CID 59439118
N-[(3S)-1-tert-butylpiperidin-3-yl]acetamide
CID 58182173
(3S)-N-cyclopentyl-1-methylsulfonylpiperidine-3-carboxamide
CID 6938499
1-N,4-N-dicyclohexylcyclohexane-1,4-dicarboxamide
CID 2982201
N-cycloheptylcycloheptanecarboxamide
CID 129091005
N-cyclopentylcyclobutanecarboxamide
CID 21158774
N-cyclodecylcyclododecanecarboxamide
CID 135182352
1-tert-butyl-N-[3-(dimethylamino)propyl]pyrrolidine-3-carboxamide
CID 146256240
(3R)-1-N-cyclohexyl-3-N-cyclopropylpiperidine-1,3-dicarboxamide
CID 7435356

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide?
The IUPAC name of 1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide (CID 67293974) is 1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide is CC(C)(C)N1CCC(C(=O)NC2CCCC2)C1.
What is the InChIKey of 1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide?
The InChIKey is VOVINCBWEHREQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2,3)16-9-8-11(10-16)13(17)15-12-6-4-5-7-12/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of 1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide?
1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide has a molecular weight of 238.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-cyclopentylpyrrolidine-3-carboxamide is sourced from PubChem (CID 67293974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).