N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide

C23H28N2O2 — CID 142821690

IUPACN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCN1CCC(CNC(=O)c2cccc3c2OCCC3)(c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-25-14-12-23(13-15-25,19-9-3-2-4-10-19)17-24-22(26)20-11-5-7-18-8-6-16-27-21(18)20/h2-5,7,9-11H,6,8,12-17H2,1H3,(H,24,26)
InChIKeyVRPSJDFVMKWKQA-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.40
Rot. Bonds4

About N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide

N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide (PubChem CID 142821690) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide.

Molecular Properties

Compound NameN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide
PubChem CID142821690
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide
SMILESCN1CCC(CNC(=O)c2cccc3c2OCCC3)(c2ccccc2)CC1
InChIInChI=1S/C23H28N2O2/c1-25-14-12-23(13-15-25,19-9-3-2-4-10-19)17-24-22(26)20-11-5-7-18-8-6-16-27-21(18)20/h2-5,7,9-11H,6,8,12-17H2,1H3,(H,24,26)
InChIKeyVRPSJDFVMKWKQA-UHFFFAOYSA-N
XLogP3.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

prop-2-enyl N-[4-[(2,3-dihydro-1-benzofuran-7-carbonylamino)methyl]-4-phenylcyclohexyl]carbamate
CID 18009518
N-[(4-amino-1-phenylcyclohexyl)methyl]-1-benzofuran-7-carboxamide;N-[(4-amino-1-phenylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 159537450
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-6-oxo-1H-pyridine-2-carboxamide
CID 118790232
2-morpholin-4-yl-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 77085484
2,3-dimethyl-N-[(1-phenylcyclobutyl)methyl]-2,3-dihydro-1-benzofuran-7-carboxamide
CID 18227470
butane;formaldehyde;N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 143049208
3-amino-N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazine-2-carboxamide;ethane
CID 142821686
1-(3,4-dihydro-2H-chromen-8-yl)ethanone
CID 82599043
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 118776370
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]pyrazolidine-4-carboxamide
CID 134127510
1-(3,4-dihydro-2H-chromen-8-yl)-2-[1-(methylamino)cyclohexyl]ethanone
CID 114747898

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide?
The IUPAC name of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide (CID 142821690) is N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide.
What is the SMILES notation for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide?
The canonical SMILES for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide is CN1CCC(CNC(=O)c2cccc3c2OCCC3)(c2ccccc2)CC1.
What is the InChIKey of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide?
The InChIKey is VRPSJDFVMKWKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-25-14-12-23(13-15-25,19-9-3-2-4-10-19)17-24-22(26)20-11-5-7-18-8-6-16-27-21(18)20/h2-5,7,9-11H,6,8,12-17H2,1H3,(H,24,26).
What are the key properties of N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide?
N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-4-phenylpiperidin-4-yl)methyl]-3,4-dihydro-2H-chromene-8-carboxamide is sourced from PubChem (CID 142821690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).