1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide

C14H25N5O2 — CID 118122154

IUPAC1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide
SMILES[H]/N=C(\N)N1CCC(C(=O)N2CC(C)CC2C(=O)NC)CC1
InChIInChI=1S/C14H25N5O2/c1-9-7-11(12(20)17-2)19(8-9)13(21)10-3-5-18(6-4-10)14(15)16/h9-11H,3-8H2,1-2H3,(H3,15,16)(H,17,20)
InChIKeyZDQBRUSIUYJELO-UHFFFAOYSA-N
MW295.39 g/mol
LogP-0.43
Rot. Bonds2

About 1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide

1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide (PubChem CID 118122154) has the molecular formula C14H25N5O2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide
PubChem CID118122154
Molecular FormulaC14H25N5O2
Molecular Weight295.39 g/mol
Exact Mass295.20
IUPAC Name1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide
SMILES[H]/N=C(\N)N1CCC(C(=O)N2CC(C)CC2C(=O)NC)CC1
InChIInChI=1S/C14H25N5O2/c1-9-7-11(12(20)17-2)19(8-9)13(21)10-3-5-18(6-4-10)14(15)16/h9-11H,3-8H2,1-2H3,(H3,15,16)(H,17,20)
InChIKeyZDQBRUSIUYJELO-UHFFFAOYSA-N
XLogP-0.43
TPSA102.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide (CID 118122154) is 1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide is [H]/N=C(\N)N1CCC(C(=O)N2CC(C)CC2C(=O)NC)CC1.
What is the InChIKey of 1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide?
The InChIKey is ZDQBRUSIUYJELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O2/c1-9-7-11(12(20)17-2)19(8-9)13(21)10-3-5-18(6-4-10)14(15)16/h9-11H,3-8H2,1-2H3,(H3,15,16)(H,17,20).
What are the key properties of 1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide?
1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-carbamimidoylpiperidine-4-carbonyl)-N,4-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118122154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).