N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

C14H27Cl2N3O — CID 119854841

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCC1CCN(C2CC2)C1
InChIInChI=1S/C14H25N3O.2ClH/c18-14(8-12-2-1-6-15-12)16-9-11-5-7-17(10-11)13-3-4-13;;/h11-13,15H,1-10H2,(H,16,18);2*1H
InChIKeyGJHYENOTVRNWJC-UHFFFAOYSA-N
MW324.30 g/mol
LogP1.57
Rot. Bonds5

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (PubChem CID 119854841) has the molecular formula C14H27Cl2N3O and a molecular weight of 324.30 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
PubChem CID119854841
Molecular FormulaC14H27Cl2N3O
Molecular Weight324.30 g/mol
Exact Mass323.15
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
SMILESCl.Cl.O=C(CC1CCCN1)NCC1CCN(C2CC2)C1
InChIInChI=1S/C14H25N3O.2ClH/c18-14(8-12-2-1-6-15-12)16-9-11-5-7-17(10-11)13-3-4-13;;/h11-13,15H,1-10H2,(H,16,18);2*1H
InChIKeyGJHYENOTVRNWJC-UHFFFAOYSA-N
XLogP1.57
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pyrrolidine-2-carboxamide
CID 54927244
N-(cyclobutylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61372732
N-(cyclopentylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61370022
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-3-oxopropanoic acid
CID 62231885
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-oxobutanamide
CID 60975912
N-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119862739
6-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-6-oxohexanoic acid
CID 60856961
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-propan-2-yloxyacetamide
CID 112686924
N-(oxan-3-ylmethyl)-2-pyrrolidin-2-ylacetamide
CID 61366642
5-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-5-oxopentanoic acid
CID 54927021
N-(oxan-4-ylmethyl)-2-piperidin-2-ylacetamide
CID 55226266
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 113267487

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride (CID 119854841) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride is Cl.Cl.O=C(CC1CCCN1)NCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
The InChIKey is GJHYENOTVRNWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O.2ClH/c18-14(8-12-2-1-6-15-12)16-9-11-5-7-17(10-11)13-3-4-13;;/h11-13,15H,1-10H2,(H,16,18);2*1H.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride has a molecular weight of 324.30 g/mol, XLogP of 1.57, 5 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]-2-pyrrolidin-2-ylacetamide;dihydrochloride is sourced from PubChem (CID 119854841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).