2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide

C16H22N3O3- — CID 165383584

IUPAC2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide
SMILES[N-]=NCCOCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H22N3O3/c17-18-8-11-21-12-15-6-9-19(10-7-15)16(20)22-13-14-4-2-1-3-5-14/h1-5,15H,6-13H2/q-1
InChIKeyGLWXHINDRCGZTP-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.07
Rot. Bonds7

About 2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide

2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide (PubChem CID 165383584) has the molecular formula C16H22N3O3- and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide.

Molecular Properties

Compound Name2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide
PubChem CID165383584
Molecular FormulaC16H22N3O3-
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide
SMILES[N-]=NCCOCC1CCN(C(=O)OCc2ccccc2)CC1
InChIInChI=1S/C16H22N3O3/c17-18-8-11-21-12-15-6-9-19(10-7-15)16(20)22-13-14-4-2-1-3-5-14/h1-5,15H,6-13H2/q-1
InChIKeyGLWXHINDRCGZTP-UHFFFAOYSA-N
XLogP3.07
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

benzyl 4-(2-piperidin-4-ylethoxymethyl)piperidine-1-carboxylate
CID 166066135
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-(3-aminocyclobutyl)piperidine-1-carboxylate
CID 166595522
benzyl 4-(2-chloroethyl)piperidine-1-carboxylate
CID 71646574
benzyl 4-[(5-amino-2-bromophenoxy)methyl]piperidine-1-carboxylate
CID 138985853
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(benzylamino)piperidine-1-carboxylate
CID 44828828
amino-(1-phenylmethoxycarbonylpiperidin-4-yl)carbamic acid
CID 57102196
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-[(2-aminophenyl)methyl]piperidine-1-carboxylate
CID 66689754

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide?
The IUPAC name of 2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide (CID 165383584) is 2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide.
What is the SMILES notation for 2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide?
The canonical SMILES for 2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide is [N-]=NCCOCC1CCN(C(=O)OCc2ccccc2)CC1.
What is the InChIKey of 2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide?
The InChIKey is GLWXHINDRCGZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N3O3/c17-18-8-11-21-12-15-6-9-19(10-7-15)16(20)22-13-14-4-2-1-3-5-14/h1-5,15H,6-13H2/q-1.
What are the key properties of 2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide?
2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide has a molecular weight of 304.37 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylmethoxycarbonylpiperidin-4-yl)methoxy]ethyliminoazanide is sourced from PubChem (CID 165383584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).