3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride

C13H24Cl2N4O — CID 119530274

IUPAC3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCCCN(C(=O)CCn1ccnc1)C1CCNC1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-2-7-17(12-3-5-14-10-12)13(18)4-8-16-9-6-15-11-16;;/h6,9,11-12,14H,2-5,7-8,10H2,1H3;2*1H
InChIKeyHFSIDKJQTXTGAI-UHFFFAOYSA-N
MW323.27 g/mol
LogP1.72
Rot. Bonds6

About 3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride

3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride (PubChem CID 119530274) has the molecular formula C13H24Cl2N4O and a molecular weight of 323.27 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride.

Molecular Properties

Compound Name3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
PubChem CID119530274
Molecular FormulaC13H24Cl2N4O
Molecular Weight323.27 g/mol
Exact Mass322.13
IUPAC Name3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
SMILESCCCN(C(=O)CCn1ccnc1)C1CCNC1.Cl.Cl
InChIInChI=1S/C13H22N4O.2ClH/c1-2-7-17(12-3-5-14-10-12)13(18)4-8-16-9-6-15-11-16;;/h6,9,11-12,14H,2-5,7-8,10H2,1H3;2*1H
InChIKeyHFSIDKJQTXTGAI-UHFFFAOYSA-N
XLogP1.72
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.27
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-imidazol-1-yl-N-piperidin-4-yl-N-propylpropanamide;dihydrochloride
CID 119823501
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
N-piperidin-4-yl-N-propyl-3-(triazol-1-yl)propanamide;hydrochloride
CID 119823537
N-ethyl-3-imidazol-1-yl-N-(piperidin-3-ylmethyl)propanamide
CID 106629654
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257
3-(1-methylpyrazol-4-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119532209
3-(2-methyl-4-nitroimidazol-1-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530440
3-imidazol-1-yl-N-(piperidin-2-ylmethyl)-N-propylpropanamide
CID 106625844
N-cyclopropyl-3-imidazol-1-yl-N-(piperidin-2-ylmethyl)propanamide
CID 106627075
N-(azetidin-3-yl)-N-propyl-3-pyrazol-1-ylpropanamide
CID 66182453
4-cyclopentyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119533250
3-(4-oxo-1,2,3-benzotriazin-3-yl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530272

Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The IUPAC name of 3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride (CID 119530274) is 3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride.
What is the SMILES notation for 3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The canonical SMILES for 3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride is CCCN(C(=O)CCn1ccnc1)C1CCNC1.Cl.Cl.
What is the InChIKey of 3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
The InChIKey is HFSIDKJQTXTGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.2ClH/c1-2-7-17(12-3-5-14-10-12)13(18)4-8-16-9-6-15-11-16;;/h6,9,11-12,14H,2-5,7-8,10H2,1H3;2*1H.
What are the key properties of 3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride?
3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride has a molecular weight of 323.27 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride is sourced from PubChem (CID 119530274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).