amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid

C14H19N3O4 — CID 57102196

IUPACamino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
SMILESNN(C(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H19N3O4/c15-17(13(18)19)12-6-8-16(9-7-12)14(20)21-10-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2,(H,18,19)
InChIKeyNHUPOBRMXAIQOA-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.64
Rot. Bonds3

About amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid

amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid (PubChem CID 57102196) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Nameamino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
PubChem CID57102196
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nameamino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
SMILESNN(C(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C14H19N3O4/c15-17(13(18)19)12-6-8-16(9-7-12)14(20)21-10-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2,(H,18,19)
InChIKeyNHUPOBRMXAIQOA-UHFFFAOYSA-N
XLogP1.64
TPSA96.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[acetyl(methyl)amino]piperidine-1-carboxylate
CID 23369982
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
1-phenylmethoxycarbonylpiperidine-4-sulfinate
CID 68893501
benzyl 4-[ethyl(methylsulfanyl)amino]piperidine-1-carboxylate
CID 143775945
benzyl 4-[(cyclohexylamino)methyl]piperidine-1-carboxylate
CID 170459943

Frequently Asked Questions

What is the IUPAC name of amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid?
The IUPAC name of amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid (CID 57102196) is amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid.
What is the SMILES notation for amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid?
The canonical SMILES for amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid is NN(C(=O)O)C1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid?
The InChIKey is NHUPOBRMXAIQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c15-17(13(18)19)12-6-8-16(9-7-12)14(20)21-10-11-4-2-1-3-5-11/h1-5,12H,6-10,15H2,(H,18,19).
What are the key properties of amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid?
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid has a molecular weight of 293.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid is sourced from PubChem (CID 57102196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).