N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide

C12H22N2O2 — CID 146107032

IUPACN-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(O)CCN(C(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-4-11(15)13-9-12(16)5-7-14(8-6-12)10(2)3/h4,10,16H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyATJLKIOOWKONEZ-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.52
Rot. Bonds4

About N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide

N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide (PubChem CID 146107032) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide.

Molecular Properties

Compound NameN-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide
PubChem CID146107032
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide
SMILESC=CC(=O)NCC1(O)CCN(C(C)C)CC1
InChIInChI=1S/C12H22N2O2/c1-4-11(15)13-9-12(16)5-7-14(8-6-12)10(2)3/h4,10,16H,1,5-9H2,2-3H3,(H,13,15)
InChIKeyATJLKIOOWKONEZ-UHFFFAOYSA-N
XLogP0.52
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.52
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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Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
The IUPAC name of N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide (CID 146107032) is N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide.
What is the SMILES notation for N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
The canonical SMILES for N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide is C=CC(=O)NCC1(O)CCN(C(C)C)CC1.
What is the InChIKey of N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
The InChIKey is ATJLKIOOWKONEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-11(15)13-9-12(16)5-7-14(8-6-12)10(2)3/h4,10,16H,1,5-9H2,2-3H3,(H,13,15).
What are the key properties of N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide?
N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide has a molecular weight of 226.32 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-1-propan-2-ylpiperidin-4-yl)methyl]prop-2-enamide is sourced from PubChem (CID 146107032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).