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

C20H30N2O3 — CID 23723442

IUPACN-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide
SMILESCCOc1cccc(CN2CCC(CCC(=O)NC3CC3)CC2)c1O
InChIInChI=1S/C20H30N2O3/c1-2-25-18-5-3-4-16(20(18)24)14-22-12-10-15(11-13-22)6-9-19(23)21-17-7-8-17/h3-5,15,17,24H,2,6-14H2,1H3,(H,21,23)
InChIKeyHEYCAPKTFPWPTD-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.06
Rot. Bonds8

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

N-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide (PubChem CID 23723442) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide
PubChem CID23723442
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC NameN-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide
SMILESCCOc1cccc(CN2CCC(CCC(=O)NC3CC3)CC2)c1O
InChIInChI=1S/C20H30N2O3/c1-2-25-18-5-3-4-16(20(18)24)14-22-12-10-15(11-13-22)6-9-19(23)21-17-7-8-17/h3-5,15,17,24H,2,6-14H2,1H3,(H,21,23)
InChIKeyHEYCAPKTFPWPTD-UHFFFAOYSA-N
XLogP3.06
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide (CID 23723442) is N-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide is CCOc1cccc(CN2CCC(CCC(=O)NC3CC3)CC2)c1O.
What is the InChIKey of N-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide?
The InChIKey is HEYCAPKTFPWPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-2-25-18-5-3-4-16(20(18)24)14-22-12-10-15(11-13-22)6-9-19(23)21-17-7-8-17/h3-5,15,17,24H,2,6-14H2,1H3,(H,21,23).
What are the key properties of N-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide?
N-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide has a molecular weight of 346.47 g/mol, XLogP of 3.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[(3-ethoxy-2-hydroxyphenyl)methyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 23723442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).