methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate

C16H22N2O4 — CID 131866293

IUPACmethyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(CNC(=O)OCc2ccccc2)CCNCC1
InChIInChI=1S/C16H22N2O4/c1-21-14(19)16(7-9-17-10-8-16)12-18-15(20)22-11-13-5-3-2-4-6-13/h2-6,17H,7-12H2,1H3,(H,18,20)
InChIKeyBSFSWIFIZIPTJG-UHFFFAOYSA-N
MW306.36 g/mol
LogP1.46
Rot. Bonds5

About methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate

methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate (PubChem CID 131866293) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
PubChem CID131866293
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Namemethyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate
SMILESCOC(=O)C1(CNC(=O)OCc2ccccc2)CCNCC1
InChIInChI=1S/C16H22N2O4/c1-21-14(19)16(7-9-17-10-8-16)12-18-15(20)22-11-13-5-3-2-4-6-13/h2-6,17H,7-12H2,1H3,(H,18,20)
InChIKeyBSFSWIFIZIPTJG-UHFFFAOYSA-N
XLogP1.46
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(phenylmethoxycarbonylaminomethyl)cyclopropane-1-carboxylate
CID 139907855
benzyl N-[(3-fluoropyrrolidin-3-yl)methyl]carbamate
CID 118798402
1-O-tert-butyl 4-O-methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-1,4-dicarboxylate
CID 68992342
benzyl N-[[(4R)-4-hydroxyazepan-4-yl]methyl]carbamate
CID 125117285
1-(phenylmethoxycarbonylaminomethyl)cyclopentane-1-carboxylic acid
CID 69223765
3,3-diethyl-1-(phenylmethoxycarbonylaminomethyl)cyclobutane-1-carboxylic acid
CID 165485509
4-ethoxycarbonyl-4-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 18536406
benzyl N-[(3-methylazetidin-3-yl)methyl]carbamate;hydrochloride
CID 131638009
benzyl 3-ethylpyrrolidine-3-carboxylate
CID 63145292
4-(phenylmethoxycarbonylaminomethyl)oxane-4-carboxylic acid
CID 91667078
1-(phenylmethoxycarbonylaminomethyl)-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 165478968
benzyl N-[[1-(2-chloroacetyl)cyclohexyl]methyl]carbamate
CID 104701740

Frequently Asked Questions

What is the IUPAC name of methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate?
The IUPAC name of methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate (CID 131866293) is methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate.
What is the SMILES notation for methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate?
The canonical SMILES for methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate is COC(=O)C1(CNC(=O)OCc2ccccc2)CCNCC1.
What is the InChIKey of methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate?
The InChIKey is BSFSWIFIZIPTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-14(19)16(7-9-17-10-8-16)12-18-15(20)22-11-13-5-3-2-4-6-13/h2-6,17H,7-12H2,1H3,(H,18,20).
What are the key properties of methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate?
methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate has a molecular weight of 306.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(phenylmethoxycarbonylaminomethyl)piperidine-4-carboxylate is sourced from PubChem (CID 131866293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).