N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide

C19H23N5O — CID 54110690

IUPACN-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide
SMILES[H]/N=C(\N)N1CCN(NC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H23N5O/c20-19(21)23-11-13-24(14-12-23)22-18(25)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H3,20,21)(H,22,25)
InChIKeyNGWKKKVLJTUKSW-UHFFFAOYSA-N
MW337.43 g/mol
LogP1.36
Rot. Bonds4

About N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide

N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide (PubChem CID 54110690) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide.

Molecular Properties

Compound NameN-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide
PubChem CID54110690
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide
SMILES[H]/N=C(\N)N1CCN(NC(=O)C(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C19H23N5O/c20-19(21)23-11-13-24(14-12-23)22-18(25)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H3,20,21)(H,22,25)
InChIKeyNGWKKKVLJTUKSW-UHFFFAOYSA-N
XLogP1.36
TPSA85.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 51.36
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 N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide?
The IUPAC name of N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide (CID 54110690) is N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide.
What is the SMILES notation for N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide?
The canonical SMILES for N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide is [H]/N=C(\N)N1CCN(NC(=O)C(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide?
The InChIKey is NGWKKKVLJTUKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c20-19(21)23-11-13-24(14-12-23)22-18(25)17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H3,20,21)(H,22,25).
What are the key properties of N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide?
N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide has a molecular weight of 337.43 g/mol, XLogP of 1.36, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamimidoylpiperazin-1-yl)-2,2-diphenylacetamide is sourced from PubChem (CID 54110690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).