N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide

C16H30N6O2 — CID 126733573

IUPACN-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide
SMILESC/N=C(\N)NCCCC1NCC(C(=O)NC2CCCCC2)NC1=O
InChIInChI=1S/C16H30N6O2/c1-18-16(17)19-9-5-8-12-14(23)22-13(10-20-12)15(24)21-11-6-3-2-4-7-11/h11-13,20H,2-10H2,1H3,(H,21,24)(H,22,23)(H3,17,18,19)
InChIKeyVFTVPNYIUPAZLA-UHFFFAOYSA-N
MW338.46 g/mol
LogP-0.79
Rot. Bonds6

About N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide

N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide (PubChem CID 126733573) has the molecular formula C16H30N6O2 and a molecular weight of 338.46 g/mol. Its IUPAC name is N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide
PubChem CID126733573
Molecular FormulaC16H30N6O2
Molecular Weight338.46 g/mol
Exact Mass338.24
IUPAC NameN-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide
SMILESC/N=C(\N)NCCCC1NCC(C(=O)NC2CCCCC2)NC1=O
InChIInChI=1S/C16H30N6O2/c1-18-16(17)19-9-5-8-12-14(23)22-13(10-20-12)15(24)21-11-6-3-2-4-7-11/h11-13,20H,2-10H2,1H3,(H,21,24)(H,22,23)(H3,17,18,19)
InChIKeyVFTVPNYIUPAZLA-UHFFFAOYSA-N
XLogP-0.79
TPSA120.64 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 5-0.79
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide?
The IUPAC name of N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide (CID 126733573) is N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide?
The canonical SMILES for N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide is C/N=C(\N)NCCCC1NCC(C(=O)NC2CCCCC2)NC1=O.
What is the InChIKey of N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide?
The InChIKey is VFTVPNYIUPAZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O2/c1-18-16(17)19-9-5-8-12-14(23)22-13(10-20-12)15(24)21-11-6-3-2-4-7-11/h11-13,20H,2-10H2,1H3,(H,21,24)(H,22,23)(H3,17,18,19).
What are the key properties of N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide?
N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide has a molecular weight of 338.46 g/mol, XLogP of -0.79, 6 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-[3-[(N'-methylcarbamimidoyl)amino]propyl]-6-oxopiperazine-2-carboxamide is sourced from PubChem (CID 126733573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).