N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide

C14H20N4O2 — CID 79155746

IUPACN-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide
SMILES[H]/N=C(\N)COc1ccccc1NC(=O)N1CCCCC1
InChIInChI=1S/C14H20N4O2/c15-13(16)10-20-12-7-3-2-6-11(12)17-14(19)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10H2,(H3,15,16)(H,17,19)
InChIKeyOIVNQMBXMSGVRT-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.02
Rot. Bonds4

About N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide

N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 79155746) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide
PubChem CID79155746
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC NameN-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide
SMILES[H]/N=C(\N)COc1ccccc1NC(=O)N1CCCCC1
InChIInChI=1S/C14H20N4O2/c15-13(16)10-20-12-7-3-2-6-11(12)17-14(19)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10H2,(H3,15,16)(H,17,19)
InChIKeyOIVNQMBXMSGVRT-UHFFFAOYSA-N
XLogP2.02
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
2-[2-(1,4-oxazepane-4-carbonylamino)phenoxy]acetic acid
CID 63747234
4-[6-(azepan-1-yl)pyridazin-3-yl]-N-(2-ethoxyphenyl)piperazine-1-carboxamide
CID 122334873
N-[2-(trifluoromethoxy)phenyl]pyrrolidine-1-carboxamide
CID 47201193
(3S)-1-N-(2-methoxyphenyl)piperidine-1,3-dicarboxamide
CID 7372009
4-benzoyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]-1,4-diazepane-1-carboxamide
CID 112825360
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
N-(2-carbamimidoyl-4-fluorophenyl)azepane-1-carboxamide
CID 82684682
N-(2-methoxyphenyl)-4-(piperidine-1-carbonyl)piperidine-1-carboxamide
CID 27869689
3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 118791173
(3R)-3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 125179829

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide (CID 79155746) is N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide is [H]/N=C(\N)COc1ccccc1NC(=O)N1CCCCC1.
What is the InChIKey of N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is OIVNQMBXMSGVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c15-13(16)10-20-12-7-3-2-6-11(12)17-14(19)18-8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-10H2,(H3,15,16)(H,17,19).
What are the key properties of N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide?
N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-iminoethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 79155746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).