4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid

C14H16Cl2N2O4 — CID 90219295

IUPAC4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)CC1)OCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O4/c15-10-5-9(6-11(16)7-10)8-22-13(19)17-12-1-3-18(4-2-12)14(20)21/h5-7,12H,1-4,8H2,(H,17,19)(H,20,21)
InChIKeyGWGXJNHYTMHMSQ-UHFFFAOYSA-N
MW347.20 g/mol
LogP3.36
Rot. Bonds3

About 4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid

4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid (PubChem CID 90219295) has the molecular formula C14H16Cl2N2O4 and a molecular weight of 347.20 g/mol. Its IUPAC name is 4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid
PubChem CID90219295
Molecular FormulaC14H16Cl2N2O4
Molecular Weight347.20 g/mol
Exact Mass346.05
IUPAC Name4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid
SMILESO=C(NC1CCN(C(=O)O)CC1)OCc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H16Cl2N2O4/c15-10-5-9(6-11(16)7-10)8-22-13(19)17-12-1-3-18(4-2-12)14(20)21/h5-7,12H,1-4,8H2,(H,17,19)(H,20,21)
InChIKeyGWGXJNHYTMHMSQ-UHFFFAOYSA-N
XLogP3.36
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dichlorophenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
CID 86722683
(3,5-dichlorophenyl)methyl (3R)-3-(methylamino)pyrrolidine-1-carboxylate
CID 155931753
benzyl N-[1-[3-(4-chlorophenyl)propanoyl]piperidin-4-yl]carbamate
CID 108566597
(3,5-dichlorophenyl)methyl 4-aminopiperidine-1-carboxylate;hydrochloride
CID 86722638
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779
benzyl N-[1-(2-chloroacetyl)azepan-4-yl]carbamate
CID 156713841
benzyl N-(1-carbamoylpyrrolidin-3-yl)carbamate
CID 130774692
benzyl N-(1-methylpiperidin-4-yl)carbamate;hydrochloride
CID 141061173
(3,5-dichlorophenyl)methyl 3-(methylamino)azetidine-1-carboxylate
CID 155931886
2-[4-(phenylmethoxycarbonylamino)piperidin-1-yl]acetic acid
CID 66566868
tert-butyl N-[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]carbamate
CID 75480519
benzyl N-[1-(4-bromobut-2-enoyl)piperidin-4-yl]carbamate
CID 175537830

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid (CID 90219295) is 4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid is O=C(NC1CCN(C(=O)O)CC1)OCc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid?
The InChIKey is GWGXJNHYTMHMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O4/c15-10-5-9(6-11(16)7-10)8-22-13(19)17-12-1-3-18(4-2-12)14(20)21/h5-7,12H,1-4,8H2,(H,17,19)(H,20,21).
What are the key properties of 4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid?
4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid has a molecular weight of 347.20 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dichlorophenyl)methoxycarbonylamino]piperidine-1-carboxylic acid is sourced from PubChem (CID 90219295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).