benzyl 1-propanoylpiperidine-4-carboxylate

C16H21NO3 — CID 59047382

IUPACbenzyl 1-propanoylpiperidine-4-carboxylate
SMILESCCC(=O)N1CCC(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c1-2-15(18)17-10-8-14(9-11-17)16(19)20-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyXLSTYYLKVPRQOK-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.38
Rot. Bonds4

About benzyl 1-propanoylpiperidine-4-carboxylate

benzyl 1-propanoylpiperidine-4-carboxylate (PubChem CID 59047382) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is benzyl 1-propanoylpiperidine-4-carboxylate.

Molecular Properties

Compound Namebenzyl 1-propanoylpiperidine-4-carboxylate
PubChem CID59047382
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Namebenzyl 1-propanoylpiperidine-4-carboxylate
SMILESCCC(=O)N1CCC(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H21NO3/c1-2-15(18)17-10-8-14(9-11-17)16(19)20-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3
InChIKeyXLSTYYLKVPRQOK-UHFFFAOYSA-N
XLogP2.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl (3S)-1-acetylpyrrolidine-3-carboxylate
CID 157025963
ethyl 1-(3-phenylpropanoyl)piperidine-4-carboxylate
CID 669998
dibenzyl cyclopentane-1,3-dicarboxylate
CID 90178451
benzyl 4-methoxycyclohexane-1-carboxylate
CID 118262723
benzyl 1-cyanopiperidine-4-carboxylate
CID 156541326
benzyl 4-(piperazine-1-carbonyl)cyclohexane-1-carboxylate
CID 66773233
methyl 1-propanoylpiperidine-4-carboxylate
CID 4777957
benzyl 1-(2-oxo-3-phenylpropanoyl)pyrrolidine-3-carboxylate
CID 176728132
benzyl piperidine-4-carboxylate;ethanol
CID 158740080
benzyl 1-[2-(dimethylamino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 166903939
benzyl 1-diphenoxyphosphanylpiperidine-4-carboxylate
CID 163210413
benzyl 1-(2,2,2-trifluoroacetyl)oxypiperidine-4-carboxylate
CID 146597094

Frequently Asked Questions

What is the IUPAC name of benzyl 1-propanoylpiperidine-4-carboxylate?
The IUPAC name of benzyl 1-propanoylpiperidine-4-carboxylate (CID 59047382) is benzyl 1-propanoylpiperidine-4-carboxylate.
What is the SMILES notation for benzyl 1-propanoylpiperidine-4-carboxylate?
The canonical SMILES for benzyl 1-propanoylpiperidine-4-carboxylate is CCC(=O)N1CCC(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 1-propanoylpiperidine-4-carboxylate?
The InChIKey is XLSTYYLKVPRQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-2-15(18)17-10-8-14(9-11-17)16(19)20-12-13-6-4-3-5-7-13/h3-7,14H,2,8-12H2,1H3.
What are the key properties of benzyl 1-propanoylpiperidine-4-carboxylate?
benzyl 1-propanoylpiperidine-4-carboxylate has a molecular weight of 275.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-propanoylpiperidine-4-carboxylate is sourced from PubChem (CID 59047382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).