N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide

C17H24N2O3 — CID 72877803

IUPACN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc2c1OCC(CNC(=O)N1CCCCC1)C2
InChIInChI=1S/C17H24N2O3/c1-21-15-7-5-6-14-10-13(12-22-16(14)15)11-18-17(20)19-8-3-2-4-9-19/h5-7,13H,2-4,8-12H2,1H3,(H,18,20)
InChIKeyLJGNHBHCKYGLMX-UHFFFAOYSA-N
MW304.39 g/mol
LogP2.44
Rot. Bonds3

About N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide

N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide (PubChem CID 72877803) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
PubChem CID72877803
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
SMILESCOc1cccc2c1OCC(CNC(=O)N1CCCCC1)C2
InChIInChI=1S/C17H24N2O3/c1-21-15-7-5-6-14-10-13(12-22-16(14)15)11-18-17(20)19-8-3-2-4-9-19/h5-7,13H,2-4,8-12H2,1H3,(H,18,20)
InChIKeyLJGNHBHCKYGLMX-UHFFFAOYSA-N
XLogP2.44
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-(2-oxoazepan-1-yl)propanamide
CID 97210078
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide
CID 97206285
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
CID 72881865
1-N'-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]cyclopropane-1,1-dicarboxamide
CID 72847861
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2-phenylsulfanylacetamide
CID 97278413
[6-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192014
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
4-acetyl-N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1,4-diazepane-1-carboxamide
CID 95568985
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 97198807
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 72838629
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 97275977

Frequently Asked Questions

What is the IUPAC name of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide (CID 72877803) is N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide is COc1cccc2c1OCC(CNC(=O)N1CCCCC1)C2.
What is the InChIKey of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide?
The InChIKey is LJGNHBHCKYGLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-21-15-7-5-6-14-10-13(12-22-16(14)15)11-18-17(20)19-8-3-2-4-9-19/h5-7,13H,2-4,8-12H2,1H3,(H,18,20).
What are the key properties of N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide?
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 72877803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).