N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide

C18H26N2O2 — CID 23723352

IUPACN-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(Cc2ccccc2O)CC1)NC1CC1
InChIInChI=1S/C18H26N2O2/c21-17-4-2-1-3-15(17)13-20-11-9-14(10-12-20)5-8-18(22)19-16-6-7-16/h1-4,14,16,21H,5-13H2,(H,19,22)
InChIKeyHDRKLLZZTGGXBO-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.66
Rot. Bonds6

About N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide

N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 23723352) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide
PubChem CID23723352
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide
SMILESO=C(CCC1CCN(Cc2ccccc2O)CC1)NC1CC1
InChIInChI=1S/C18H26N2O2/c21-17-4-2-1-3-15(17)13-20-11-9-14(10-12-20)5-8-18(22)19-16-6-7-16/h1-4,14,16,21H,5-13H2,(H,19,22)
InChIKeyHDRKLLZZTGGXBO-UHFFFAOYSA-N
XLogP2.66
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide (CID 23723352) is N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide is O=C(CCC1CCN(Cc2ccccc2O)CC1)NC1CC1.
What is the InChIKey of N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is HDRKLLZZTGGXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-17-4-2-1-3-15(17)13-20-11-9-14(10-12-20)5-8-18(22)19-16-6-7-16/h1-4,14,16,21H,5-13H2,(H,19,22).
What are the key properties of N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[(2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 23723352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).