[(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate

C27H31N3O3 — CID 45137551

IUPAC[(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate
SMILESCOc1ccccc1N1CCN(C2CNCC[C@H]2OC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C27H31N3O3/c1-32-25-12-5-4-11-23(25)29-15-17-30(18-16-29)24-19-28-14-13-26(24)33-27(31)22-10-6-8-20-7-2-3-9-21(20)22/h2-12,24,26,28H,13-19H2,1H3/t24?,26-/m1/s1
InChIKeySHJLZQKQQXPOLO-JUERFOTFSA-N
MW445.56 g/mol
LogP3.56
Rot. Bonds5

About [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate

[(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate (PubChem CID 45137551) has the molecular formula C27H31N3O3 and a molecular weight of 445.56 g/mol. Its IUPAC name is [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate.

Molecular Properties

Compound Name[(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate
PubChem CID45137551
Molecular FormulaC27H31N3O3
Molecular Weight445.56 g/mol
Exact Mass445.24
IUPAC Name[(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate
SMILESCOc1ccccc1N1CCN(C2CNCC[C@H]2OC(=O)c2cccc3ccccc23)CC1
InChIInChI=1S/C27H31N3O3/c1-32-25-12-5-4-11-23(25)29-15-17-30(18-16-29)24-19-28-14-13-26(24)33-27(31)22-10-6-8-20-7-2-3-9-21(20)22/h2-12,24,26,28H,13-19H2,1H3/t24?,26-/m1/s1
InChIKeySHJLZQKQQXPOLO-JUERFOTFSA-N
XLogP3.56
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.56
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]-naphthalen-1-ylmethanone;oxalic acid
CID 17369253
[(4R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate
CID 45137554
[(4R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-4-yl] 3-phenylbenzoate
CID 45137552
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
N-[3-(cyclopropylcarbamoyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]phenyl]naphthalene-1-carboxamide
CID 1066513
[4-(2-methoxyphenyl)piperazin-1-yl]-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]methanone
CID 43920568
4-[4-(2-methoxyphenyl)piperazin-1-yl]azepane
CID 103983150
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylethyl]naphthalene-1-carboxamide
CID 22578896
1-(2-methoxyphenyl)-4-[(1R,2R)-2-methylcyclohexyl]piperazine
CID 124636506
2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]benzo[f]chromen-3-one
CID 19132811
[(3R)-4-(3-methylphenyl)piperidin-3-yl] 2-methoxybenzoate
CID 142245480

Frequently Asked Questions

What is the IUPAC name of [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate?
The IUPAC name of [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate (CID 45137551) is [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate.
What is the SMILES notation for [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate?
The canonical SMILES for [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate is COc1ccccc1N1CCN(C2CNCC[C@H]2OC(=O)c2cccc3ccccc23)CC1.
What is the InChIKey of [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate?
The InChIKey is SHJLZQKQQXPOLO-JUERFOTFSA-N. The full InChI is InChI=1S/C27H31N3O3/c1-32-25-12-5-4-11-23(25)29-15-17-30(18-16-29)24-19-28-14-13-26(24)33-27(31)22-10-6-8-20-7-2-3-9-21(20)22/h2-12,24,26,28H,13-19H2,1H3/t24?,26-/m1/s1.
What are the key properties of [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate?
[(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate has a molecular weight of 445.56 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-3-[4-(2-methoxyphenyl)piperazin-1-yl]piperidin-4-yl] naphthalene-1-carboxylate is sourced from PubChem (CID 45137551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).