3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid

C15H20N2O4 — CID 22350247

IUPAC3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
SMILESO=C(NCC1CCCN(C(=O)O)C1)OCc1ccccc1
InChIInChI=1S/C15H20N2O4/c18-14(21-11-12-5-2-1-3-6-12)16-9-13-7-4-8-17(10-13)15(19)20/h1-3,5-6,13H,4,7-11H2,(H,16,18)(H,19,20)
InChIKeyCXNGKILENCRHTO-UHFFFAOYSA-N
MW292.33 g/mol
LogP2.30
Rot. Bonds4

About 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid

3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid (PubChem CID 22350247) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
PubChem CID22350247
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid
SMILESO=C(NCC1CCCN(C(=O)O)C1)OCc1ccccc1
InChIInChI=1S/C15H20N2O4/c18-14(21-11-12-5-2-1-3-6-12)16-9-13-7-4-8-17(10-13)15(19)20/h1-3,5-6,13H,4,7-11H2,(H,16,18)(H,19,20)
InChIKeyCXNGKILENCRHTO-UHFFFAOYSA-N
XLogP2.30
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(1-prop-2-enoylpiperidin-3-yl)methyl]carbamate
CID 166410489
propan-2-yl 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylate
CID 143244812
benzyl N-[[1-[(2S)-2-amino-3-methylbutanoyl]piperidin-3-yl]methyl]carbamate
CID 66566800
benzyl N-[[(3R)-1-(2-aminoethyl)piperidin-3-yl]methyl]carbamate
CID 96553888
benzyl N-(cyclopropylmethyl)carbamate
CID 53419264
benzyl (3R)-3-[[(2-aminoacetyl)amino]methyl]piperidine-1-carboxylate
CID 96552603
tert-butyl 4-(phenylmethoxycarbonylaminomethyl)azepane-1-carboxylate
CID 137424963
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
2-[(3S)-3-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]acetic acid
CID 96554065
2-[3-(phenylmethoxycarbonylaminomethyl)pyrrolidin-1-yl]acetic acid
CID 66566865
benzyl N-[(4-aminocyclohexyl)methyl]carbamate
CID 59845659

Frequently Asked Questions

What is the IUPAC name of 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid?
The IUPAC name of 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid (CID 22350247) is 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid?
The canonical SMILES for 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid is O=C(NCC1CCCN(C(=O)O)C1)OCc1ccccc1.
What is the InChIKey of 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid?
The InChIKey is CXNGKILENCRHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c18-14(21-11-12-5-2-1-3-6-12)16-9-13-7-4-8-17(10-13)15(19)20/h1-3,5-6,13H,4,7-11H2,(H,16,18)(H,19,20).
What are the key properties of 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid?
3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid has a molecular weight of 292.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(phenylmethoxycarbonylaminomethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 22350247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).