N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide

C13H23N3O — CID 54927244

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCN(C2CC2)C1)C1CCCN1
InChIInChI=1S/C13H23N3O/c17-13(12-2-1-6-14-12)15-8-10-5-7-16(9-10)11-3-4-11/h10-12,14H,1-9H2,(H,15,17)
InChIKeyJHPZQRJXYCGVEL-UHFFFAOYSA-N
MW237.35 g/mol
LogP0.34
Rot. Bonds4

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 54927244) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID54927244
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCC1CCN(C2CC2)C1)C1CCCN1
InChIInChI=1S/C13H23N3O/c17-13(12-2-1-6-14-12)15-8-10-5-7-16(9-10)11-3-4-11/h10-12,14H,1-9H2,(H,15,17)
InChIKeyJHPZQRJXYCGVEL-UHFFFAOYSA-N
XLogP0.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-thiazolidine-4-carboxamide;dihydrochloride
CID 119854849
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119854841
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54898994
(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 113267408
(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104
(2S)-N-(1-cyclopropylpyrrolidin-3-yl)pyrrolidine-2-carboxamide;dihydrochloride
CID 119864828
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
(2S)-N-[(1-methylpiperidin-4-yl)methyl]piperidine-2-carboxamide;dihydrochloride
CID 119866896
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
CID 54898996
(2S)-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]piperidine-2-carboxamide
CID 104913494

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide (CID 54927244) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide is O=C(NCC1CCN(C2CC2)C1)C1CCCN1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is JHPZQRJXYCGVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c17-13(12-2-1-6-14-12)15-8-10-5-7-16(9-10)11-3-4-11/h10-12,14H,1-9H2,(H,15,17).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 54927244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).