3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide

C13H25N3O — CID 63142239

IUPAC3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(CN1CCCC1)NC(=O)C1(C)CCNC1
InChIInChI=1S/C13H25N3O/c1-11(9-16-7-3-4-8-16)15-12(17)13(2)5-6-14-10-13/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyKYQIZYIBHGIGCE-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.59
Rot. Bonds4

About 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide

3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide (PubChem CID 63142239) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
PubChem CID63142239
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide
SMILESCC(CN1CCCC1)NC(=O)C1(C)CCNC1
InChIInChI=1S/C13H25N3O/c1-11(9-16-7-3-4-8-16)15-12(17)13(2)5-6-14-10-13/h11,14H,3-10H2,1-2H3,(H,15,17)
InChIKeyKYQIZYIBHGIGCE-UHFFFAOYSA-N
XLogP0.59
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-(1-morpholin-4-ylpropan-2-yl)piperidine-3-carboxamide
CID 63129996
3-methyl-N-(1-methylsulfanylpropan-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119796250
4-methoxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119851493
N-(1-ethoxypropan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 63142112
N-[1-(diethylamino)propan-2-yl]-3-methylpyrrolidine-3-carboxamide;dihydrochloride
CID 119860550
3-ethyl-N-(1-morpholin-4-ylpropan-2-yl)pyrrolidine-3-carboxamide
CID 63139450
1-(aminomethyl)-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclopropane-1-carboxamide
CID 80588338
N-[2-(azepan-1-yl)ethyl]-3-methylpyrrolidine-3-carboxamide
CID 63141304
3-methyl-N-(2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119836645
N-(3,3-dimethylbutan-2-yl)-3-methylpyrrolidine-3-carboxamide
CID 104828260
N-[(1R)-1-cyclopentylethyl]-3-methylpyrrolidine-3-carboxamide
CID 81388379
3-methyl-N-(4-methylsulfanylbutan-2-yl)piperidine-3-carboxamide
CID 115747548

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide (CID 63142239) is 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide is CC(CN1CCCC1)NC(=O)C1(C)CCNC1.
What is the InChIKey of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide?
The InChIKey is KYQIZYIBHGIGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-11(9-16-7-3-4-8-16)15-12(17)13(2)5-6-14-10-13/h11,14H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide?
3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide has a molecular weight of 239.36 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 63142239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).