[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone

C23H28N2O3 — CID 97277342

IUPAC[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccc2c(c1)OC[C@@H](CNC1CCN(C(=O)c3ccccc3)CC1)C2
InChIInChI=1S/C23H28N2O3/c1-27-21-8-7-19-13-17(16-28-22(19)14-21)15-24-20-9-11-25(12-10-20)23(26)18-5-3-2-4-6-18/h2-8,14,17,20,24H,9-13,15-16H2,1H3/t17-/m1/s1
InChIKeyBAIMXCUHUFZAJX-QGZVFWFLSA-N
MW380.49 g/mol
LogP3.14
Rot. Bonds5

About [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone

[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone (PubChem CID 97277342) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone
PubChem CID97277342
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Name[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone
SMILESCOc1ccc2c(c1)OC[C@@H](CNC1CCN(C(=O)c3ccccc3)CC1)C2
InChIInChI=1S/C23H28N2O3/c1-27-21-8-7-19-13-17(16-28-22(19)14-21)15-24-20-9-11-25(12-10-20)23(26)18-5-3-2-4-6-18/h2-8,14,17,20,24H,9-13,15-16H2,1H3/t17-/m1/s1
InChIKeyBAIMXCUHUFZAJX-QGZVFWFLSA-N
XLogP3.14
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone with MolForge

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Related Compounds

[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 97271263
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]pyridine-4-carboxamide
CID 97142134
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-4-(4-methylpiperazin-1-yl)benzamide
CID 97123602
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-3-carboxamide
CID 72888189
N-[[(3S)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97122083
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-2,3-dioxo-1,4-dihydroquinoxaline-6-carboxamide
CID 72855713
4-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methylcarbamoyl]-1H-imidazole-5-carboxylic acid
CID 74240064
N-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 97275919
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-ethoxyphenyl)methanone;hydrochloride
CID 119624568
[4-(cyclopropylmethylamino)piperidin-1-yl]-[5-(4-methoxyphenyl)-3-pyridinyl]methanone;dihydrochloride
CID 119622551
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-(2-oxopyrrolidin-1-yl)propanamide
CID 72907497
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232

Frequently Asked Questions

What is the IUPAC name of [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone (CID 97277342) is [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone is COc1ccc2c(c1)OC[C@@H](CNC1CCN(C(=O)c3ccccc3)CC1)C2.
What is the InChIKey of [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone?
The InChIKey is BAIMXCUHUFZAJX-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-27-21-8-7-19-13-17(16-28-22(19)14-21)15-24-20-9-11-25(12-10-20)23(26)18-5-3-2-4-6-18/h2-8,14,17,20,24H,9-13,15-16H2,1H3/t17-/m1/s1.
What are the key properties of [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone?
[4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone has a molecular weight of 380.49 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]methylamino]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 97277342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).