N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide

C13H25N3O — CID 122080444

IUPACN-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CC1CCCN1)C1CCNC1
InChIInChI=1S/C13H25N3O/c1-2-8-16(12-5-7-14-10-12)13(17)9-11-4-3-6-15-11/h11-12,14-15H,2-10H2,1H3
InChIKeyJWKVWWMSIRFKTB-UHFFFAOYSA-N
MW239.36 g/mol
LogP0.73
Rot. Bonds5

About N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide

N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide (PubChem CID 122080444) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound NameN-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide
PubChem CID122080444
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)CC1CCCN1)C1CCNC1
InChIInChI=1S/C13H25N3O/c1-2-8-16(12-5-7-14-10-12)13(17)9-11-4-3-6-15-11/h11-12,14-15H,2-10H2,1H3
InChIKeyJWKVWWMSIRFKTB-UHFFFAOYSA-N
XLogP0.73
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopentyl-N-piperidin-3-yl-N-propylacetamide
CID 60805879
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 122080455
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
N-piperidin-3-yl-N-propyldecanamide
CID 65450246
4-cyclopentyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119533250
2-(1,1-dioxothiolan-3-yl)-N-piperidin-3-yl-N-propylacetamide
CID 63638478
N,N-dimethyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66777504
3-cyclopropyl-1-propyl-1-pyrrolidin-3-ylurea
CID 62699859
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804

Frequently Asked Questions

What is the IUPAC name of N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide (CID 122080444) is N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide is CCCN(C(=O)CC1CCCN1)C1CCNC1.
What is the InChIKey of N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide?
The InChIKey is JWKVWWMSIRFKTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-2-8-16(12-5-7-14-10-12)13(17)9-11-4-3-6-15-11/h11-12,14-15H,2-10H2,1H3.
What are the key properties of N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide?
N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide has a molecular weight of 239.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-pyrrolidin-2-yl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 122080444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).