N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide

C20H30N2O2 — CID 50961802

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(CC(=O)NCC2OCCc3ccccc32)CC1
InChIInChI=1S/C20H30N2O2/c1-15(2)22-10-7-16(8-11-22)13-20(23)21-14-19-18-6-4-3-5-17(18)9-12-24-19/h3-6,15-16,19H,7-14H2,1-2H3,(H,21,23)
InChIKeyGVVFXLGSFJLRJH-UHFFFAOYSA-N
MW330.47 g/mol
LogP2.93
Rot. Bonds5

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide (PubChem CID 50961802) has the molecular formula C20H30N2O2 and a molecular weight of 330.47 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide
PubChem CID50961802
Molecular FormulaC20H30N2O2
Molecular Weight330.47 g/mol
Exact Mass330.23
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide
SMILESCC(C)N1CCC(CC(=O)NCC2OCCc3ccccc32)CC1
InChIInChI=1S/C20H30N2O2/c1-15(2)22-10-7-16(8-11-22)13-20(23)21-14-19-18-6-4-3-5-17(18)9-12-24-19/h3-6,15-16,19H,7-14H2,1-2H3,(H,21,23)
InChIKeyGVVFXLGSFJLRJH-UHFFFAOYSA-N
XLogP2.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide (CID 50961802) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide is CC(C)N1CCC(CC(=O)NCC2OCCc3ccccc32)CC1.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
The InChIKey is GVVFXLGSFJLRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O2/c1-15(2)22-10-7-16(8-11-22)13-20(23)21-14-19-18-6-4-3-5-17(18)9-12-24-19/h3-6,15-16,19H,7-14H2,1-2H3,(H,21,23).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide has a molecular weight of 330.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-(1-propan-2-ylpiperidin-4-yl)acetamide is sourced from PubChem (CID 50961802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).