propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate

C18H26N2O4 — CID 143244812

IUPACpropan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCC(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H26N2O4/c1-14(2)24-18(22)20-10-6-9-16(12-20)11-19-17(21)23-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,21)
InChIKeySPBPKOGMQUJTNN-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.17
Rot. Bonds5

About propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate

propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate (PubChem CID 143244812) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
PubChem CID143244812
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC Namepropan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
SMILESCC(C)OC(=O)N1CCCC(CNC(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H26N2O4/c1-14(2)24-18(22)20-10-6-9-16(12-20)11-19-17(21)23-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,21)
InChIKeySPBPKOGMQUJTNN-UHFFFAOYSA-N
XLogP3.17
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
CID 22350247
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate
CID 66566800
benzyl N-[(1-prop-2-enoylpiperidin-3-yl)methyl]carbamate
CID 166410489
benzyl N-[[(3S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553995
benzyl N-[[(3R)-1-[(2S)-2-aminopropanoyl]pyrrolidin-3-yl]methyl]carbamate
CID 96553994
benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552603
tert-butyl 4-(phenylmethoxycarbonylaminomethyl)azepane-1-carboxylate
CID 137424963
2-methylpropyl 3-(phenylmethoxycarbonylaminomethyl)azetidine-1-carboxylate
CID 69490767
benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate
CID 96553888
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl (3R)-3-[[4-(dimethoxymethyl)piperidin-1-yl]methyl]piperidine-1-carboxylate
CID 174255821
benzyl N-[(2R)-1-[(3R)-3-(methanesulfonamidomethyl)piperidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 51727543

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate?
The IUPAC name of propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate (CID 143244812) is propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate.
What is the SMILES notation for propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate?
The canonical SMILES for propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate is CC(C)OC(=O)N1CCCC(CNC(=O)OCc2ccccc2)C1.
What is the InChIKey of propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate?
The InChIKey is SPBPKOGMQUJTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-14(2)24-18(22)20-10-6-9-16(12-20)11-19-17(21)23-13-15-7-4-3-5-8-15/h3-5,7-8,14,16H,6,9-13H2,1-2H3,(H,19,21).
What are the key properties of propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate?
propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate is sourced from PubChem (CID 143244812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).