[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate

C20H20F2N2O3 — CID 11978474

IUPAC[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)cc1)O[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H20F2N2O3/c21-16-7-3-14(4-8-16)12-23-20(26)27-18-2-1-11-24(13-18)19(25)15-5-9-17(22)10-6-15/h3-10,18H,1-2,11-13H2,(H,23,26)/t18-/m0/s1
InChIKeyPSMPCJCKIQMYBN-SFHVURJKSA-N
MW374.39 g/mol
LogP3.50
Rot. Bonds4

About [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate

[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate (PubChem CID 11978474) has the molecular formula C20H20F2N2O3 and a molecular weight of 374.39 g/mol. Its IUPAC name is [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate
PubChem CID11978474
Molecular FormulaC20H20F2N2O3
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)cc1)O[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C20H20F2N2O3/c21-16-7-3-14(4-8-16)12-23-20(26)27-18-2-1-11-24(13-18)19(25)15-5-9-17(22)10-6-15/h3-10,18H,1-2,11-13H2,(H,23,26)/t18-/m0/s1
InChIKeyPSMPCJCKIQMYBN-SFHVURJKSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorobenzoyl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55454977
1-(4-fluorobenzoyl)-N-[(4-pyrrolidin-1-ylphenyl)methyl]piperidine-3-carboxamide
CID 55657080
(4-fluorophenyl)-[3-(2-methoxyethoxy)piperidin-1-yl]methanone
CID 42844207
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[3-[(Z)-but-2-enoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 46153756
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
[(3S)-3-[(2,5-difluorophenyl)methoxy]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 93223806
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 46488775
(4-fluorophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone;hydrochloride
CID 119397460
(4-fluorophenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62535610
1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 51306191
[4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]phenyl]methylurea
CID 119133486

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate?
The IUPAC name of [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate (CID 11978474) is [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate?
The canonical SMILES for [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate is O=C(NCc1ccc(F)cc1)O[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate?
The InChIKey is PSMPCJCKIQMYBN-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20F2N2O3/c21-16-7-3-14(4-8-16)12-23-20(26)27-18-2-1-11-24(13-18)19(25)15-5-9-17(22)10-6-15/h3-10,18H,1-2,11-13H2,(H,23,26)/t18-/m0/s1.
What are the key properties of [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate?
[(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate has a molecular weight of 374.39 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(4-fluorobenzoyl)piperidin-3-yl] N-[(4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 11978474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).