N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide

C18H26N2O2 — CID 2842448

IUPACN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCC1OCCc2ccccc21
InChIInChI=1S/C18H26N2O2/c21-18(8-12-20-10-4-1-5-11-20)19-14-17-16-7-3-2-6-15(16)9-13-22-17/h2-3,6-7,17H,1,4-5,8-14H2,(H,19,21)
InChIKeyQJPKKCKDEGBHGX-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.29
Rot. Bonds5

About N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide

N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide (PubChem CID 2842448) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide
PubChem CID2842448
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide
SMILESO=C(CCN1CCCCC1)NCC1OCCc2ccccc21
InChIInChI=1S/C18H26N2O2/c21-18(8-12-20-10-4-1-5-11-20)19-14-17-16-7-3-2-6-15(16)9-13-22-17/h2-3,6-7,17H,1,4-5,8-14H2,(H,19,21)
InChIKeyQJPKKCKDEGBHGX-UHFFFAOYSA-N
XLogP2.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.29
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)-3-piperidin-1-ylpropanamide?
The IUPAC name of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide (CID 2842448) is N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide?
The canonical SMILES for N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide is O=C(CCN1CCCCC1)NCC1OCCc2ccccc21.
What is the InChIKey of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide?
The InChIKey is QJPKKCKDEGBHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c21-18(8-12-20-10-4-1-5-11-20)19-14-17-16-7-3-2-6-15(16)9-13-22-17/h2-3,6-7,17H,1,4-5,8-14H2,(H,19,21).
What are the key properties of N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide?
N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-piperidin-1-ylpropanamide has a molecular weight of 302.42 g/mol, XLogP of 2.29, 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)-3-piperidin-1-ylpropanamide is sourced from PubChem (CID 2842448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).