N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide

C18H26N2O2 — CID 86918724

IUPACN-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)NC2CCOc3ccccc32)C1
InChIInChI=1S/C18H26N2O2/c1-13-6-5-10-20(12-13)14(2)18(21)19-16-9-11-22-17-8-4-3-7-15(16)17/h3-4,7-8,13-14,16H,5-6,9-12H2,1-2H3,(H,19,21)
InChIKeyLNBCLTIOLNBQQJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.75
Rot. Bonds3

About N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide

N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide (PubChem CID 86918724) has the molecular formula C18H26N2O2 and a molecular weight of 302.42 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide
PubChem CID86918724
Molecular FormulaC18H26N2O2
Molecular Weight302.42 g/mol
Exact Mass302.20
IUPAC NameN-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide
SMILESCC1CCCN(C(C)C(=O)NC2CCOc3ccccc32)C1
InChIInChI=1S/C18H26N2O2/c1-13-6-5-10-20(12-13)14(2)18(21)19-16-9-11-22-17-8-4-3-7-15(16)17/h3-4,7-8,13-14,16H,5-6,9-12H2,1-2H3,(H,19,21)
InChIKeyLNBCLTIOLNBQQJ-UHFFFAOYSA-N
XLogP2.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(3,4-dihydro-2H-chromen-4-ylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylic acid
CID 119904104
(2R)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
CID 32718919
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95344485
2-[4-[2-(cyclopropylamino)-2-oxoethyl]piperazin-1-yl]-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 86919603
N-(3,4-dihydro-2H-chromen-4-yl)-2-pyrazol-1-ylpropanamide
CID 47156481
(2R)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]propanamide
CID 124742386
(2S)-2-bromo-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300423
(2S)-2-bromo-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-methylbutanamide
CID 93300419
2-bromo-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 43244721
2-acetamido-N-(3,4-dihydro-2H-chromen-4-yl)-3-methylbutanamide
CID 18115199
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
CID 46800680
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide?
The IUPAC name of N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide (CID 86918724) is N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide?
The canonical SMILES for N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide is CC1CCCN(C(C)C(=O)NC2CCOc3ccccc32)C1.
What is the InChIKey of N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide?
The InChIKey is LNBCLTIOLNBQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O2/c1-13-6-5-10-20(12-13)14(2)18(21)19-16-9-11-22-17-8-4-3-7-15(16)17/h3-4,7-8,13-14,16H,5-6,9-12H2,1-2H3,(H,19,21).
What are the key properties of N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide?
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide has a molecular weight of 302.42 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methylpiperidin-1-yl)propanamide is sourced from PubChem (CID 86918724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).