N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

C25H30FN3O3 — CID 55782704

IUPACN-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C25H30FN3O3/c1-2-5-23(30)28-22-8-3-6-19(14-22)16-27-25(32)20-7-4-13-29(17-20)24(31)15-18-9-11-21(26)12-10-18/h3,6,8-12,14,20H,2,4-5,7,13,15-17H2,1H3,(H,27,32)(H,28,30)
InChIKeyRNRVHYVYQMKBLA-UHFFFAOYSA-N
MW439.53 g/mol
LogP3.66
Rot. Bonds8

About N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide

N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (PubChem CID 55782704) has the molecular formula C25H30FN3O3 and a molecular weight of 439.53 g/mol. Its IUPAC name is N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
PubChem CID55782704
Molecular FormulaC25H30FN3O3
Molecular Weight439.53 g/mol
Exact Mass439.23
IUPAC NameN-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
SMILESCCCC(=O)Nc1cccc(CNC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1
InChIInChI=1S/C25H30FN3O3/c1-2-5-23(30)28-22-8-3-6-19(14-22)16-27-25(32)20-7-4-13-29(17-20)24(31)15-18-9-11-21(26)12-10-18/h3,6,8-12,14,20H,2,4-5,7,13,15-17H2,1H3,(H,27,32)(H,28,30)
InChIKeyRNRVHYVYQMKBLA-UHFFFAOYSA-N
XLogP3.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide
CID 55760283
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-[[3-(phenylmethoxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 95345541
1-butanoyl-N-[[3-[(4-methylbenzoyl)amino]phenyl]methyl]piperidine-3-carboxamide
CID 55945797
N-[[(3S)-1-[2-(4-fluorophenyl)acetyl]piperidin-3-yl]methyl]butanamide
CID 95294159
(3R)-1-[2-(4-fluorophenyl)acetyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 94168679
N',1-bis[2-(4-fluorophenyl)acetyl]piperidine-3-carbohydrazide
CID 55738620
1-[2-(4-fluorophenyl)acetyl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]piperidine-3-carboxamide
CID 55749531
1-[2-(4-fluorophenyl)acetyl]-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 55739487
(3S)-3-N-[[3-(2-methylpropanoylamino)phenyl]methyl]piperidine-1,3-dicarboxamide
CID 34591979
(3R)-N-(3-ethylphenyl)-1-(2-naphthalen-1-ylacetyl)piperidine-3-carboxamide
CID 94082707
(3R)-1-acetyl-N-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 9270503
(3R)-3-N-benzyl-1-N-(4-fluorophenyl)piperidine-1,3-dicarboxamide
CID 51686692

Frequently Asked Questions

What is the IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The IUPAC name of N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide (CID 55782704) is N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The canonical SMILES for N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is CCCC(=O)Nc1cccc(CNC(=O)C2CCCN(C(=O)Cc3ccc(F)cc3)C2)c1.
What is the InChIKey of N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
The InChIKey is RNRVHYVYQMKBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O3/c1-2-5-23(30)28-22-8-3-6-19(14-22)16-27-25(32)20-7-4-13-29(17-20)24(31)15-18-9-11-21(26)12-10-18/h3,6,8-12,14,20H,2,4-5,7,13,15-17H2,1H3,(H,27,32)(H,28,30).
What are the key properties of N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide?
N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide has a molecular weight of 439.53 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(butanoylamino)phenyl]methyl]-1-[2-(4-fluorophenyl)acetyl]piperidine-3-carboxamide is sourced from PubChem (CID 55782704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).