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

C11H22N2O — CID 134570450

IUPACN-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide
SMILESCN(C=O)CCCC1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-12-8-5-11(6-9-12)4-3-7-13(2)10-14/h10-11H,3-9H2,1-2H3
InChIKeyIWDKSUGEPQFLSA-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.20
Rot. Bonds5

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

N-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide (PubChem CID 134570450) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide.

Molecular Properties

Compound NameN-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide
PubChem CID134570450
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide
SMILESCN(C=O)CCCC1CCN(C)CC1
InChIInChI=1S/C11H22N2O/c1-12-8-5-11(6-9-12)4-3-7-13(2)10-14/h10-11H,3-9H2,1-2H3
InChIKeyIWDKSUGEPQFLSA-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide?
The IUPAC name of N-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide (CID 134570450) is N-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide.
What is the SMILES notation for N-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide?
The canonical SMILES for N-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide is CN(C=O)CCCC1CCN(C)CC1.
What is the InChIKey of N-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide?
The InChIKey is IWDKSUGEPQFLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12-8-5-11(6-9-12)4-3-7-13(2)10-14/h10-11H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide?
N-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide has a molecular weight of 198.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-(1-methylpiperidin-4-yl)propyl]formamide is sourced from PubChem (CID 134570450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).