N-[3-(4-methylpiperazin-1-yl)propyl]formamide

C9H19N3O — CID 18183534

IUPACN-[3-(4-methylpiperazin-1-yl)propyl]formamide
SMILESCN1CCN(CCCNC=O)CC1
InChIInChI=1S/C9H19N3O/c1-11-5-7-12(8-6-11)4-2-3-10-9-13/h9H,2-8H2,1H3,(H,10,13)
InChIKeyVWFYYSNKBCIXCI-UHFFFAOYSA-N
MW185.27 g/mol
LogP-0.63
Rot. Bonds5

About N-[3-(4-methylpiperazin-1-yl)propyl]formamide

N-[3-(4-methylpiperazin-1-yl)propyl]formamide (PubChem CID 18183534) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is N-[3-(4-methylpiperazin-1-yl)propyl]formamide.

Molecular Properties

Compound NameN-[3-(4-methylpiperazin-1-yl)propyl]formamide
PubChem CID18183534
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC NameN-[3-(4-methylpiperazin-1-yl)propyl]formamide
SMILESCN1CCN(CCCNC=O)CC1
InChIInChI=1S/C9H19N3O/c1-11-5-7-12(8-6-11)4-2-3-10-9-13/h9H,2-8H2,1H3,(H,10,13)
InChIKeyVWFYYSNKBCIXCI-UHFFFAOYSA-N
XLogP-0.63
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]formamide?
The IUPAC name of N-[3-(4-methylpiperazin-1-yl)propyl]formamide (CID 18183534) is N-[3-(4-methylpiperazin-1-yl)propyl]formamide.
What is the SMILES notation for N-[3-(4-methylpiperazin-1-yl)propyl]formamide?
The canonical SMILES for N-[3-(4-methylpiperazin-1-yl)propyl]formamide is CN1CCN(CCCNC=O)CC1.
What is the InChIKey of N-[3-(4-methylpiperazin-1-yl)propyl]formamide?
The InChIKey is VWFYYSNKBCIXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-11-5-7-12(8-6-11)4-2-3-10-9-13/h9H,2-8H2,1H3,(H,10,13).
What are the key properties of N-[3-(4-methylpiperazin-1-yl)propyl]formamide?
N-[3-(4-methylpiperazin-1-yl)propyl]formamide has a molecular weight of 185.27 g/mol, XLogP of -0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-methylpiperazin-1-yl)propyl]formamide is sourced from PubChem (CID 18183534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).