1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide

C22H27FN2O3S — CID 30391483

IUPAC1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O3S/c23-21-10-8-19(9-11-21)17-29(27,28)25-15-12-20(13-16-25)22(26)24-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-17H2,(H,24,26)
InChIKeyBBLLXNMTUASPDA-UHFFFAOYSA-N
MW418.53 g/mol
LogP3.12
Rot. Bonds8

About 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide

1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide (PubChem CID 30391483) has the molecular formula C22H27FN2O3S and a molecular weight of 418.53 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
PubChem CID30391483
Molecular FormulaC22H27FN2O3S
Molecular Weight418.53 g/mol
Exact Mass418.17
IUPAC Name1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
SMILESO=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C22H27FN2O3S/c23-21-10-8-19(9-11-21)17-29(27,28)25-15-12-20(13-16-25)22(26)24-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-17H2,(H,24,26)
InChIKeyBBLLXNMTUASPDA-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-fluorophenyl)methylsulfonyl]-N-[3-(4-propan-2-yloxyphenyl)propyl]piperidine-4-carboxamide
CID 38006975
1-[(2-chlorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide
CID 28637020
N-[3-(4-fluorophenyl)propyl]-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 100652408
(3S)-1-benzylsulfonyl-N-[2-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 1445004
1-benzylsulfonyl-N-(3-phenoxypropyl)piperidine-4-carboxamide
CID 55685731
1-[(4-bromophenyl)methylsulfonyl]-N-[3-(4-methylphenyl)propyl]piperidine-4-carboxamide
CID 46764106
(3R)-N-[3-(4-fluorophenyl)propyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide
CID 28632952
1-benzylsulfonyl-N-[4-(4-methylpiperazin-1-yl)butyl]piperidine-4-carboxamide
CID 55691039
1-benzylsulfonyl-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]piperidine-4-carboxamide
CID 55781036
[1-[(4-fluorophenyl)methylsulfonyl]piperidin-4-yl]-phenylmethanone
CID 55529221
(2S)-1-benzylsulfonyl-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 101173677
1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 30388912

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide (CID 30391483) is 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide is O=C(NCCCc1ccccc1)C1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
The InChIKey is BBLLXNMTUASPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O3S/c23-21-10-8-19(9-11-21)17-29(27,28)25-15-12-20(13-16-25)22(26)24-14-4-7-18-5-2-1-3-6-18/h1-3,5-6,8-11,20H,4,7,12-17H2,(H,24,26).
What are the key properties of 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide?
1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide has a molecular weight of 418.53 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-phenylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 30391483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).