N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide

C13H22N2O2 — CID 20722238

IUPACN-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCN(C(=O)CCC)CC1
InChIInChI=1S/C13H22N2O2/c1-3-5-13(17)15-8-6-11(7-9-15)10-14-12(16)4-2/h4,11H,2-3,5-10H2,1H3,(H,14,16)
InChIKeyHVJFZRGHMJGPLW-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.33
Rot. Bonds5

About N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide

N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide (PubChem CID 20722238) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide
PubChem CID20722238
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1CCN(C(=O)CCC)CC1
InChIInChI=1S/C13H22N2O2/c1-3-5-13(17)15-8-6-11(7-9-15)10-14-12(16)4-2/h4,11H,2-3,5-10H2,1H3,(H,14,16)
InChIKeyHVJFZRGHMJGPLW-UHFFFAOYSA-N
XLogP1.33
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.33
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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Related Compounds

1-((piperidin-4-yl)methyl)-2,5-dihydro-1H-pyrrole-2,5-dione hydrochloride
CID 71758084
N-Methyl-1-(prop-2-enoyl)piperidine-4-carboxamide
CID 23034625
1-(piperidin-4-ylmethyl)-2,5-dihydro-1H-pyrrole-2,5-dione
CID 61791959
4-(Acrylamidomethyl)piperidine
CID 61792155
N-methyl-1-prop-2-enylpiperidine-4-carboxamide
CID 130650936
2,2,2-trifluoro-N-[(1-prop-2-enoylpiperidin-4-yl)methyl]acetamide
CID 108932925
N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]prop-2-enamide
CID 108932926
N-[[1-[(E)-but-2-enoyl]piperidin-4-yl]methyl]-2,2,2-trifluoroacetamide
CID 108932927
(E)-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]but-2-enamide
CID 108932928
2,2,2-trifluoro-N-[[1-(2-methylprop-2-enoyl)piperidin-4-yl]methyl]acetamide
CID 108932931
2-methyl-N-[[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]methyl]prop-2-enamide
CID 108932932
3,3-difluoro-N-methyl-N-prop-2-enylpiperidine-4-carboxamide
CID 121621515

Frequently Asked Questions

What is the IUPAC name of N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide (CID 20722238) is N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide is C=CC(=O)NCC1CCN(C(=O)CCC)CC1.
What is the InChIKey of N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide?
The InChIKey is HVJFZRGHMJGPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-5-13(17)15-8-6-11(7-9-15)10-14-12(16)4-2/h4,11H,2-3,5-10H2,1H3,(H,14,16).
What are the key properties of N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide?
N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide has a molecular weight of 238.33 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-butanoylpiperidin-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 20722238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).