N-[2-(1-methylpiperidin-4-yl)ethyl]formamide

C9H18N2O — CID 18695563

IUPACN-[2-(1-methylpiperidin-4-yl)ethyl]formamide
SMILESCN1CCC(CCNC=O)CC1
InChIInChI=1S/C9H18N2O/c1-11-6-3-9(4-7-11)2-5-10-8-12/h8-9H,2-7H2,1H3,(H,10,12)
InChIKeyIBDKGSIHKYXYIA-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.46
Rot. Bonds4

About N-[2-(1-methylpiperidin-4-yl)ethyl]formamide

N-[2-(1-methylpiperidin-4-yl)ethyl]formamide (PubChem CID 18695563) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is N-[2-(1-methylpiperidin-4-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-(1-methylpiperidin-4-yl)ethyl]formamide
PubChem CID18695563
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC NameN-[2-(1-methylpiperidin-4-yl)ethyl]formamide
SMILESCN1CCC(CCNC=O)CC1
InChIInChI=1S/C9H18N2O/c1-11-6-3-9(4-7-11)2-5-10-8-12/h8-9H,2-7H2,1H3,(H,10,12)
InChIKeyIBDKGSIHKYXYIA-UHFFFAOYSA-N
XLogP0.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[2-(1-methylpiperidin-4-yl)ethyl]formamide?
The IUPAC name of N-[2-(1-methylpiperidin-4-yl)ethyl]formamide (CID 18695563) is N-[2-(1-methylpiperidin-4-yl)ethyl]formamide.
What is the SMILES notation for N-[2-(1-methylpiperidin-4-yl)ethyl]formamide?
The canonical SMILES for N-[2-(1-methylpiperidin-4-yl)ethyl]formamide is CN1CCC(CCNC=O)CC1.
What is the InChIKey of N-[2-(1-methylpiperidin-4-yl)ethyl]formamide?
The InChIKey is IBDKGSIHKYXYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-11-6-3-9(4-7-11)2-5-10-8-12/h8-9H,2-7H2,1H3,(H,10,12).
What are the key properties of N-[2-(1-methylpiperidin-4-yl)ethyl]formamide?
N-[2-(1-methylpiperidin-4-yl)ethyl]formamide has a molecular weight of 170.26 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpiperidin-4-yl)ethyl]formamide is sourced from PubChem (CID 18695563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).