N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C19H30N2O2 — CID 97197132

IUPACN-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC[C@H](NC(=O)CC1CCN(C(C)C)CC1)c1ccc(O)cc1
InChIInChI=1S/C19H30N2O2/c1-4-18(16-5-7-17(22)8-6-16)20-19(23)13-15-9-11-21(12-10-15)14(2)3/h5-8,14-15,18,22H,4,9-13H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeySGNKWJPMUDDIJS-SFHVURJKSA-N
MW318.46 g/mol
LogP3.47
Rot. Bonds6

About N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 97197132) has the molecular formula C19H30N2O2 and a molecular weight of 318.46 g/mol. Its IUPAC name is N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID97197132
Molecular FormulaC19H30N2O2
Molecular Weight318.46 g/mol
Exact Mass318.23
IUPAC NameN-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC[C@H](NC(=O)CC1CCN(C(C)C)CC1)c1ccc(O)cc1
InChIInChI=1S/C19H30N2O2/c1-4-18(16-5-7-17(22)8-6-16)20-19(23)13-15-9-11-21(12-10-15)14(2)3/h5-8,14-15,18,22H,4,9-13H2,1-3H3,(H,20,23)/t18-/m0/s1
InChIKeySGNKWJPMUDDIJS-SFHVURJKSA-N
XLogP3.47
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.46
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 97197132) is N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CC[C@H](NC(=O)CC1CCN(C(C)C)CC1)c1ccc(O)cc1.
What is the InChIKey of N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is SGNKWJPMUDDIJS-SFHVURJKSA-N. The full InChI is InChI=1S/C19H30N2O2/c1-4-18(16-5-7-17(22)8-6-16)20-19(23)13-15-9-11-21(12-10-15)14(2)3/h5-8,14-15,18,22H,4,9-13H2,1-3H3,(H,20,23)/t18-/m0/s1.
What are the key properties of N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 318.46 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-hydroxyphenyl)propyl]-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 97197132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).