2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone

C16H27N5O — CID 153085489

IUPAC2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone
SMILESCC1=NCC(C/N=C2\CCC(CC(=O)N3CCCCC3)N2)N1
InChIInChI=1S/C16H27N5O/c1-12-17-10-14(19-12)11-18-15-6-5-13(20-15)9-16(22)21-7-3-2-4-8-21/h13-14H,2-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyVOCZJSLTRSABPB-UHFFFAOYSA-N
MW305.43 g/mol
LogP0.93
Rot. Bonds4

About 2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone

2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone (PubChem CID 153085489) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone
PubChem CID153085489
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone
SMILESCC1=NCC(C/N=C2\CCC(CC(=O)N3CCCCC3)N2)N1
InChIInChI=1S/C16H27N5O/c1-12-17-10-14(19-12)11-18-15-6-5-13(20-15)9-16(22)21-7-3-2-4-8-21/h13-14H,2-11H2,1H3,(H,17,19)(H,18,20)
InChIKeyVOCZJSLTRSABPB-UHFFFAOYSA-N
XLogP0.93
TPSA69.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-4-yl]ethyl]guanidine
CID 137192530
2-[2-[1-[2-(5-Methyliminopyrrolidin-2-yl)acetyl]piperidin-3-yl]ethyl]guanidine
CID 137298090
2-(1,4-Dimethylpiperazin-2-yl)-4-propyl-1,4-dihydroimidazol-5-one
CID 113896840
1-Methyl-4-(2,3,4,5-tetrahydropyridin-6-ylamino)pyrrolidin-2-one
CID 130585461
5-(2-Iminopyrrolidin-1-yl)-6-methylpiperidin-2-one
CID 131142280

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone (CID 153085489) is 2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone is CC1=NCC(C/N=C2\CCC(CC(=O)N3CCCCC3)N2)N1.
What is the InChIKey of 2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone?
The InChIKey is VOCZJSLTRSABPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-12-17-10-14(19-12)11-18-15-6-5-13(20-15)9-16(22)21-7-3-2-4-8-21/h13-14H,2-11H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone?
2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone has a molecular weight of 305.43 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2-methyl-4,5-dihydro-1H-imidazol-5-yl)methylimino]pyrrolidin-2-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 153085489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).