2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide

C24H30FN3O — CID 91479957

IUPAC2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC1CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FN3O/c25-21-10-8-19(9-11-21)17-20-12-15-27(16-13-20)18-23-7-4-14-28(23)24(29)26-22-5-2-1-3-6-22/h1-3,5-6,8-11,20,23H,4,7,12-18H2,(H,26,29)
InChIKeyDWNDCGLMHIIJTQ-UHFFFAOYSA-N
MW395.52 g/mol
LogP4.78
Rot. Bonds5

About 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide

2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide (PubChem CID 91479957) has the molecular formula C24H30FN3O and a molecular weight of 395.52 g/mol. Its IUPAC name is 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
PubChem CID91479957
Molecular FormulaC24H30FN3O
Molecular Weight395.52 g/mol
Exact Mass395.24
IUPAC Name2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
SMILESO=C(Nc1ccccc1)N1CCCC1CN1CCC(Cc2ccc(F)cc2)CC1
InChIInChI=1S/C24H30FN3O/c25-21-10-8-19(9-11-21)17-20-12-15-27(16-13-20)18-23-7-4-14-28(23)24(29)26-22-5-2-1-3-6-22/h1-3,5-6,8-11,20,23H,4,7,12-18H2,(H,26,29)
InChIKeyDWNDCGLMHIIJTQ-UHFFFAOYSA-N
XLogP4.78
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methyl]-N-phenylpyrrolidine-1-carboxamide
CID 110601869
2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-[(3-methoxyphenyl)carbamoyl]piperazine-1-carboxylic acid
CID 70198251
(2R)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-N-phenylpyrrolidine-1-carboxamide
CID 100841076
4-acetyl-N-(3-acetylphenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide
CID 23509665
1-[2-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]acetyl]phenyl]-3-phenylurea
CID 10884773
4-benzyl-N-phenylpiperidine-1-carboxamide
CID 5064762
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
4-benzyl-N-(3-cyanophenyl)-3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]piperazine-1-carboxamide
CID 23509675
(2S)-N-[3-[(4-fluorophenyl)methoxy]phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111104603
3-(4-benzylpiperidin-1-yl)-N-(4-fluorophenyl)azetidine-1-carboxamide
CID 23140030
N-(3-cyanophenyl)-3-[2-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 57033769

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
The IUPAC name of 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide (CID 91479957) is 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
The canonical SMILES for 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide is O=C(Nc1ccccc1)N1CCCC1CN1CCC(Cc2ccc(F)cc2)CC1.
What is the InChIKey of 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
The InChIKey is DWNDCGLMHIIJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30FN3O/c25-21-10-8-19(9-11-21)17-20-12-15-27(16-13-20)18-23-7-4-14-28(23)24(29)26-22-5-2-1-3-6-22/h1-3,5-6,8-11,20,23H,4,7,12-18H2,(H,26,29).
What are the key properties of 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide?
2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide has a molecular weight of 395.52 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-N-phenylpyrrolidine-1-carboxamide is sourced from PubChem (CID 91479957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).