N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide

C26H28FN3O2 — CID 34790921

IUPACN-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
SMILESCCN(C(=O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H28FN3O2/c1-2-30(24-9-5-7-19-6-3-4-8-23(19)24)25(31)18-29-16-14-22(15-17-29)28-26(32)20-10-12-21(27)13-11-20/h3-13,22H,2,14-18H2,1H3,(H,28,32)
InChIKeyYLFIMKNLBZUTGD-UHFFFAOYSA-N
MW433.53 g/mol
LogP4.23
Rot. Bonds6

About N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide

N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide (PubChem CID 34790921) has the molecular formula C26H28FN3O2 and a molecular weight of 433.53 g/mol. Its IUPAC name is N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
PubChem CID34790921
Molecular FormulaC26H28FN3O2
Molecular Weight433.53 g/mol
Exact Mass433.22
IUPAC NameN-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
SMILESCCN(C(=O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1)c1cccc2ccccc12
InChIInChI=1S/C26H28FN3O2/c1-2-30(24-9-5-7-19-6-3-4-8-23(19)24)25(31)18-29-16-14-22(15-17-29)28-26(32)20-10-12-21(27)13-11-20/h3-13,22H,2,14-18H2,1H3,(H,28,32)
InChIKeyYLFIMKNLBZUTGD-UHFFFAOYSA-N
XLogP4.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.53
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 43061886
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-N-ethyl-N-naphthalen-1-ylacetamide
CID 49235557
N-[1-[2-oxo-2-(pentan-2-ylamino)ethyl]piperidin-4-yl]benzamide
CID 18131571
4-fluoro-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 34797820
1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-N-(4-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55816301
4-ethoxy-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]benzamide
CID 55959674
4-[[2-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]acetyl]amino]-N-methylbenzamide
CID 34795547
N-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]benzamide
CID 2802697
4-fluoro-N-[1-(3-phenylpropyl)piperidin-4-yl]benzamide
CID 34799426
4-[(4-fluorobenzoyl)amino]-N-methylpiperidine-1-carboxamide
CID 47162435
N-[1-[2-(2-benzoylanilino)-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide
CID 34791543
4-fluoro-N-(1-methylpyrrolidin-3-yl)benzamide
CID 47368477

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The IUPAC name of N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide (CID 34790921) is N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The canonical SMILES for N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide is CCN(C(=O)CN1CCC(NC(=O)c2ccc(F)cc2)CC1)c1cccc2ccccc12.
What is the InChIKey of N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
The InChIKey is YLFIMKNLBZUTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O2/c1-2-30(24-9-5-7-19-6-3-4-8-23(19)24)25(31)18-29-16-14-22(15-17-29)28-26(32)20-10-12-21(27)13-11-20/h3-13,22H,2,14-18H2,1H3,(H,28,32).
What are the key properties of N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide?
N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide has a molecular weight of 433.53 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]piperidin-4-yl]-4-fluorobenzamide is sourced from PubChem (CID 34790921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).