1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

C22H25FN2O2 — CID 46488775

IUPAC1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCc3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H25FN2O2/c1-15-10-16(2)12-19(11-15)22(27)25-9-3-4-18(14-25)21(26)24-13-17-5-7-20(23)8-6-17/h5-8,10-12,18H,3-4,9,13-14H2,1-2H3,(H,24,26)
InChIKeyJXGVOIRUYWZAAV-UHFFFAOYSA-N
MW368.45 g/mol
LogP3.61
Rot. Bonds4

About 1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide

1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (PubChem CID 46488775) has the molecular formula C22H25FN2O2 and a molecular weight of 368.45 g/mol. Its IUPAC name is 1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
PubChem CID46488775
Molecular FormulaC22H25FN2O2
Molecular Weight368.45 g/mol
Exact Mass368.19
IUPAC Name1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
SMILESCc1cc(C)cc(C(=O)N2CCCC(C(=O)NCc3ccc(F)cc3)C2)c1
InChIInChI=1S/C22H25FN2O2/c1-15-10-16(2)12-19(11-15)22(27)25-9-3-4-18(14-25)21(26)24-13-17-5-7-20(23)8-6-17/h5-8,10-12,18H,3-4,9,13-14H2,1-2H3,(H,24,26)
InChIKeyJXGVOIRUYWZAAV-UHFFFAOYSA-N
XLogP3.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.45
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-(3,5-dimethylbenzoyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082808
1-(3,5-dimethylbenzoyl)-N-[(3-methylphenyl)methyl]piperidine-3-carboxamide
CID 47048010
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
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
N-[(3,5-dimethoxyphenyl)methyl]-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 55792149
(3R)-N-[(4-fluorophenyl)methyl]-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxamide
CID 1031755
(3S)-1-(3,5-dimethylbenzoyl)-N-[(3-ethoxy-4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 94082877
(3S)-1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94082445
1-(2-fluorobenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 50804043
1-(3,5-dimethylbenzoyl)-N-[(3-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 55794251
(3R)-1-(3,5-dimethylbenzoyl)-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 94082845

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide (CID 46488775) is 1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is Cc1cc(C)cc(C(=O)N2CCCC(C(=O)NCc3ccc(F)cc3)C2)c1.
What is the InChIKey of 1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
The InChIKey is JXGVOIRUYWZAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2/c1-15-10-16(2)12-19(11-15)22(27)25-9-3-4-18(14-25)21(26)24-13-17-5-7-20(23)8-6-17/h5-8,10-12,18H,3-4,9,13-14H2,1-2H3,(H,24,26).
What are the key properties of 1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide?
1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide has a molecular weight of 368.45 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylbenzoyl)-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46488775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).