N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide

C15H20N2O2 — CID 166414486

IUPACN-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1N1CCC(CO)CC1
InChIInChI=1S/C15H20N2O2/c1-2-15(19)16-13-5-3-4-6-14(13)17-9-7-12(11-18)8-10-17/h2-6,12,18H,1,7-11H2,(H,16,19)
InChIKeyIOXMNFDXIDZJSI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.02
Rot. Bonds4

About N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide

N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide (PubChem CID 166414486) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide
PubChem CID166414486
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC NameN-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccccc1N1CCC(CO)CC1
InChIInChI=1S/C15H20N2O2/c1-2-15(19)16-13-5-3-4-6-14(13)17-9-7-12(11-18)8-10-17/h2-6,12,18H,1,7-11H2,(H,16,19)
InChIKeyIOXMNFDXIDZJSI-UHFFFAOYSA-N
XLogP2.02
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-1,2-oxazole-3-carboxamide
CID 75435744
3-hydroxy-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-5-methylbenzamide
CID 110016310
N-[2-[4-(aminomethyl)piperidin-1-yl]phenyl]acetamide
CID 68551320
[1-[2-(2,3-dihydro-1H-inden-2-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 126803823
2-[4-(hydroxymethyl)piperidin-1-yl]phenol
CID 71530927
[1-(2-ethylphenyl)piperidin-4-yl]methanol
CID 117027933
3-cyano-N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]-2H-pyran-6-carboxamide
CID 143567083
[1-[2-(cyclohex-3-en-1-ylmethylamino)phenyl]piperidin-4-yl]methanol
CID 110011353
N-[2-(4-benzylpiperidin-1-yl)phenyl]propanamide
CID 175142313
[1-[2-[(2,5-difluorophenyl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75513043
[1-[2-[(2-methylpyrazol-3-yl)methylamino]phenyl]piperidin-4-yl]methanol
CID 75473179
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]phenyl]-3-propan-2-ylurea
CID 100665127

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide?
The IUPAC name of N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide (CID 166414486) is N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide?
The canonical SMILES for N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccccc1N1CCC(CO)CC1.
What is the InChIKey of N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide?
The InChIKey is IOXMNFDXIDZJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-2-15(19)16-13-5-3-4-6-14(13)17-9-7-12(11-18)8-10-17/h2-6,12,18H,1,7-11H2,(H,16,19).
What are the key properties of N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide?
N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide has a molecular weight of 260.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 166414486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).