[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone

C22H27N3O3 — CID 72881865

IUPAC[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1cccc2c1OCC(CNc1cc(C(=O)N3CCCCC3)ccn1)C2
InChIInChI=1S/C22H27N3O3/c1-27-19-7-5-6-17-12-16(15-28-21(17)19)14-24-20-13-18(8-9-23-20)22(26)25-10-3-2-4-11-25/h5-9,13,16H,2-4,10-12,14-15H2,1H3,(H,23,24)
InChIKeyXCZRVXWXBWYZGI-UHFFFAOYSA-N
MW381.48 g/mol
LogP3.38
Rot. Bonds5

About [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone

[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 72881865) has the molecular formula C22H27N3O3 and a molecular weight of 381.48 g/mol. Its IUPAC name is [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
PubChem CID72881865
Molecular FormulaC22H27N3O3
Molecular Weight381.48 g/mol
Exact Mass381.21
IUPAC Name[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone
SMILESCOc1cccc2c1OCC(CNc1cc(C(=O)N3CCCCC3)ccn1)C2
InChIInChI=1S/C22H27N3O3/c1-27-19-7-5-6-17-12-16(15-28-21(17)19)14-24-20-13-18(8-9-23-20)22(26)25-10-3-2-4-11-25/h5-9,13,16H,2-4,10-12,14-15H2,1H3,(H,23,24)
InChIKeyXCZRVXWXBWYZGI-UHFFFAOYSA-N
XLogP3.38
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]piperidine-1-carboxamide
CID 72877803
[6-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192015
[6-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 97192014
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 72890511
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]azepane-1-sulfonamide
CID 97206285
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-2,6-dimethylpyridine-4-carboxamide
CID 99929986
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]-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 97275621
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
CID 97198807
N-[[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 97275977
N-[[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]methyl]-5-(methoxymethyl)thiophene-2-carboxamide
CID 97275063
N-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]quinoline-5-carboxamide
CID 72926769

Frequently Asked Questions

What is the IUPAC name of [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone (CID 72881865) is [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone is COc1cccc2c1OCC(CNc1cc(C(=O)N3CCCCC3)ccn1)C2.
What is the InChIKey of [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is XCZRVXWXBWYZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3/c1-27-19-7-5-6-17-12-16(15-28-21(17)19)14-24-20-13-18(8-9-23-20)22(26)25-10-3-2-4-11-25/h5-9,13,16H,2-4,10-12,14-15H2,1H3,(H,23,24).
What are the key properties of [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone?
[2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 381.48 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(8-methoxy-3,4-dihydro-2H-chromen-3-yl)methylamino]-4-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 72881865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).