[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone

C27H28FN3O2 — CID 34229652

IUPAC[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C27H28FN3O2/c28-24-10-3-4-11-25(24)29-16-18-31(19-17-29)26(32)21-12-14-30(15-13-21)27(33)23-9-5-7-20-6-1-2-8-22(20)23/h1-11,21H,12-19H2
InChIKeyICNAIFLTEPMWSW-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.18
Rot. Bonds3

About [4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone

[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone (PubChem CID 34229652) has the molecular formula C27H28FN3O2 and a molecular weight of 445.54 g/mol. Its IUPAC name is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone.

Molecular Properties

Compound Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
PubChem CID34229652
Molecular FormulaC27H28FN3O2
Molecular Weight445.54 g/mol
Exact Mass445.22
IUPAC Name[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
SMILESO=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C27H28FN3O2/c28-24-10-3-4-11-25(24)29-16-18-31(19-17-29)26(32)21-12-14-30(15-13-21)27(33)23-9-5-7-20-6-1-2-8-22(20)23/h1-11,21H,12-19H2
InChIKeyICNAIFLTEPMWSW-UHFFFAOYSA-N
XLogP4.18
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
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
[4-(4-fluorophenyl)piperazin-1-yl]-[1-(2-fluorophenyl)piperidin-4-yl]methanone
CID 17152590
(3,5-dimethylpiperidin-1-yl)-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 51239988
N-(2-fluorophenyl)-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 27396109
2-[4-[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]piperazin-1-yl]propanamide
CID 86955156
1-[4-[4-(2-fluorobenzoyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 33464627
[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 52612498
[1-[1-(4-fluorobenzoyl)piperidin-4-yl]piperidin-4-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 42881342
[(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
[3-(aminomethyl)pyrrolidin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone
CID 119483891

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The IUPAC name of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone (CID 34229652) is [4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone.
What is the SMILES notation for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The canonical SMILES for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone is O=C(c1cccc2ccccc12)N1CCC(C(=O)N2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
The InChIKey is ICNAIFLTEPMWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O2/c28-24-10-3-4-11-25(24)29-16-18-31(19-17-29)26(32)21-12-14-30(15-13-21)27(33)23-9-5-7-20-6-1-2-8-22(20)23/h1-11,21H,12-19H2.
What are the key properties of [4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone?
[4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone has a molecular weight of 445.54 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)piperazin-1-yl]-[1-(naphthalene-1-carbonyl)piperidin-4-yl]methanone is sourced from PubChem (CID 34229652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).