benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate

C16H22N2O3 — CID 23369982

IUPACbenzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
SMILESCC(=O)N(C)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-13(19)17(2)15-8-10-18(11-9-15)16(20)21-12-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3
InChIKeyFOACAOTZEFELTN-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.27
Rot. Bonds3

About benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate

benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate (PubChem CID 23369982) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
PubChem CID23369982
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namebenzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
SMILESCC(=O)N(C)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-13(19)17(2)15-8-10-18(11-9-15)16(20)21-12-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3
InChIKeyFOACAOTZEFELTN-UHFFFAOYSA-N
XLogP2.27
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
CID 57102196
2-[methyl-[(3R)-1-phenylmethoxycarbonylpyrrolidin-3-yl]amino]acetic acid
CID 66563946
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-[ethyl(methylsulfanyl)amino]piperidine-1-carboxylate
CID 143775945
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidin-1-yl]piperidine-1-carboxylate
CID 177301155
benzyl 3-[2-aminoethyl(methyl)amino]pyrrolidine-1-carboxylate
CID 66563965
2-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]acetic acid
CID 66564244
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl (3R)-3-[aminocarbamothioyl(methyl)amino]pyrrolidine-1-carboxylate
CID 58202128

Frequently Asked Questions

What is the IUPAC name of benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate?
The IUPAC name of benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate (CID 23369982) is benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate is CC(=O)N(C)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate?
The InChIKey is FOACAOTZEFELTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13(19)17(2)15-8-10-18(11-9-15)16(20)21-12-14-6-4-3-5-7-14/h3-7,15H,8-12H2,1-2H3.
What are the key properties of benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate?
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate has a molecular weight of 290.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 23369982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).