propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate

C17H30N4O2 — CID 72858755

IUPACpropyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCCC(c2nccn2CCCN(C)C)C1
InChIInChI=1S/C17H30N4O2/c1-4-13-23-17(22)21-10-5-7-15(14-21)16-18-8-12-20(16)11-6-9-19(2)3/h8,12,15H,4-7,9-11,13-14H2,1-3H3
InChIKeyCXOQXFAZAGOGCK-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.56
Rot. Bonds7

About propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate

propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate (PubChem CID 72858755) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Namepropyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate
PubChem CID72858755
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Namepropyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate
SMILESCCCOC(=O)N1CCCC(c2nccn2CCCN(C)C)C1
InChIInChI=1S/C17H30N4O2/c1-4-13-23-17(22)21-10-5-7-15(14-21)16-18-8-12-20(16)11-6-9-19(2)3/h8,12,15H,4-7,9-11,13-14H2,1-3H3
InChIKeyCXOQXFAZAGOGCK-UHFFFAOYSA-N
XLogP2.56
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate?
The IUPAC name of propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate (CID 72858755) is propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate.
What is the SMILES notation for propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate?
The canonical SMILES for propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate is CCCOC(=O)N1CCCC(c2nccn2CCCN(C)C)C1.
What is the InChIKey of propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate?
The InChIKey is CXOQXFAZAGOGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-4-13-23-17(22)21-10-5-7-15(14-21)16-18-8-12-20(16)11-6-9-19(2)3/h8,12,15H,4-7,9-11,13-14H2,1-3H3.
What are the key properties of propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate?
propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate has a molecular weight of 322.45 g/mol, XLogP of 2.56, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[1-[3-(dimethylamino)propyl]imidazol-2-yl]piperidine-1-carboxylate is sourced from PubChem (CID 72858755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).