1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate

C18H25NO3 — CID 71869357

IUPAC1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate
SMILESCCC(Cc1ccccc1)OC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C18H25NO3/c1-3-17(13-15-7-5-4-6-8-15)22-18(21)16-9-11-19(12-10-16)14(2)20/h4-8,16-17H,3,9-13H2,1-2H3
InChIKeyFMIHYHPPLNEJKX-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.81
Rot. Bonds5

About 1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate

1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate (PubChem CID 71869357) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate.

Molecular Properties

Compound Name1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate
PubChem CID71869357
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate
SMILESCCC(Cc1ccccc1)OC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C18H25NO3/c1-3-17(13-15-7-5-4-6-8-15)22-18(21)16-9-11-19(12-10-16)14(2)20/h4-8,16-17H,3,9-13H2,1-2H3
InChIKeyFMIHYHPPLNEJKX-UHFFFAOYSA-N
XLogP2.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,2-diphenylethyl 1-methylpiperidine-4-carboxylate
CID 70925787
benzyl (3S)-1-acetylpyrrolidine-3-carboxylate
CID 157025963
1-acetyl-N-(1-hydroxy-3-phenylpropan-2-yl)piperidine-4-carboxamide
CID 110673545
1,2-diphenylethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 47078732
1-[4-[[(2R)-1-phenylpropan-2-yl]amino]piperidin-1-yl]ethanone
CID 94923523
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
1-acetyl-N-benzyl-N-ethylpiperidine-4-carboxamide
CID 110686023
benzyl 1-propanoylpiperidine-4-carboxylate
CID 59047382
ethyl 1-(1-chloro-2-phenylethyl)piperidine-4-carboxylate
CID 176726308
ethane;1-[4-[[methyl(1-phenylpropan-2-yl)amino]methyl]piperidin-1-yl]ethanone
CID 90770756
methyl 1-(2-phenoxybutanoyl)piperidine-4-carboxylate
CID 3155107
1-O-tert-butyl 4-O-[(1S)-1-phenylethyl] piperidine-1,4-dicarboxylate
CID 138393461

Frequently Asked Questions

What is the IUPAC name of 1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate?
The IUPAC name of 1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate (CID 71869357) is 1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate.
What is the SMILES notation for 1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate?
The canonical SMILES for 1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate is CCC(Cc1ccccc1)OC(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate?
The InChIKey is FMIHYHPPLNEJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO3/c1-3-17(13-15-7-5-4-6-8-15)22-18(21)16-9-11-19(12-10-16)14(2)20/h4-8,16-17H,3,9-13H2,1-2H3.
What are the key properties of 1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate?
1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate has a molecular weight of 303.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylbutan-2-yl 1-acetylpiperidine-4-carboxylate is sourced from PubChem (CID 71869357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).