[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone

C31H35N3O2 — CID 146086866

IUPAC[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CC1
InChIInChI=1S/C31H35N3O2/c35-30(32-20-15-27(16-21-32)34-19-12-23-6-1-2-8-26(23)22-34)25-13-17-33(18-14-25)31(36)29-11-5-9-24-7-3-4-10-28(24)29/h1-11,25,27H,12-22H2
InChIKeyXPUGTVMOFJJPGH-UHFFFAOYSA-N
MW481.64 g/mol
LogP4.74
Rot. Bonds3

About [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone

[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone (PubChem CID 146086866) has the molecular formula C31H35N3O2 and a molecular weight of 481.64 g/mol. Its IUPAC name is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
PubChem CID146086866
Molecular FormulaC31H35N3O2
Molecular Weight481.64 g/mol
Exact Mass481.27
IUPAC Name[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CC1
InChIInChI=1S/C31H35N3O2/c35-30(32-20-15-27(16-21-32)34-19-12-23-6-1-2-8-26(23)22-34)25-13-17-33(18-14-25)31(36)29-11-5-9-24-7-3-4-10-28(24)29/h1-11,25,27H,12-22H2
InChIKeyXPUGTVMOFJJPGH-UHFFFAOYSA-N
XLogP4.74
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.64
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 27659108
morpholin-4-yl-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 17400895
(3,5-dimethylpiperidin-1-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 51239988
1-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]ethanone
CID 119103450
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 119483891
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 120655609
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 34229652
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(1H-indazol-3-yl)methanone
CID 56913865
2-[4-[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]propanamide
CID 86955156
[(2S)-2-methylmorpholin-4-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 42002042
(2-methylmorpholin-4-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 47016285
(4S)-4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidine-1-carbonyl]-1-ethylpyrrolidin-2-one
CID 95866539

Frequently Asked Questions

What is the IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone (CID 146086866) is [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone is O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCC(N3CCc4ccccc4C3)CC2)CC1.
What is the InChIKey of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The InChIKey is XPUGTVMOFJJPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N3O2/c35-30(32-20-15-27(16-21-32)34-19-12-23-6-1-2-8-26(23)22-34)25-13-17-33(18-14-25)31(36)29-11-5-9-24-7-3-4-10-28(24)29/h1-11,25,27H,12-22H2.
What are the key properties of [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone has a molecular weight of 481.64 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 146086866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).