N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide

C10H18N2O — CID 173102664

IUPACN-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCN1CCCCC1C
InChIInChI=1S/C10H18N2O/c1-3-10(13)11-8-12-7-5-4-6-9(12)2/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyRPNUXXVVCRRWRY-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.12
Rot. Bonds3

About N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide

N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide (PubChem CID 173102664) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide
PubChem CID173102664
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC NameN-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCN1CCCCC1C
InChIInChI=1S/C10H18N2O/c1-3-10(13)11-8-12-7-5-4-6-9(12)2/h3,9H,1,4-8H2,2H3,(H,11,13)
InChIKeyRPNUXXVVCRRWRY-UHFFFAOYSA-N
XLogP1.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide (CID 173102664) is N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide is C=CC(=O)NCN1CCCCC1C.
What is the InChIKey of N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide?
The InChIKey is RPNUXXVVCRRWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-3-10(13)11-8-12-7-5-4-6-9(12)2/h3,9H,1,4-8H2,2H3,(H,11,13).
What are the key properties of N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide?
N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide has a molecular weight of 182.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpiperidin-1-yl)methyl]prop-2-enamide is sourced from PubChem (CID 173102664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).