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

C16H25N3O3 — CID 118791173

IUPAC3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
SMILESCCOCCOc1ccccc1NC(=O)N1CCCC(N)C1
InChIInChI=1S/C16H25N3O3/c1-2-21-10-11-22-15-8-4-3-7-14(15)18-16(20)19-9-5-6-13(17)12-19/h3-4,7-8,13H,2,5-6,9-12,17H2,1H3,(H,18,20)
InChIKeyNHJNPTHOHZRAKI-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.06
Rot. Bonds6

About 3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide

3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 118791173) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
PubChem CID118791173
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
SMILESCCOCCOc1ccccc1NC(=O)N1CCCC(N)C1
InChIInChI=1S/C16H25N3O3/c1-2-21-10-11-22-15-8-4-3-7-14(15)18-16(20)19-9-5-6-13(17)12-19/h3-4,7-8,13H,2,5-6,9-12,17H2,1H3,(H,18,20)
InChIKeyNHJNPTHOHZRAKI-UHFFFAOYSA-N
XLogP2.06
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide
CID 125179829
(3S)-3-cyano-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 97436786
1-(3-aminopiperidin-1-yl)-2-(2-ethoxyphenoxy)ethanone
CID 119378361
N-[2-(2,2-difluoroethoxy)phenyl]-3-(ethoxymethyl)pyrrolidine-1-carboxamide
CID 71849484
N-[2-(cyclopropylmethoxy)phenyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111453701
(4aS,8aS)-N-(2-ethoxyphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944761
3-(methoxymethyl)-N-(2-propoxyphenyl)azetidine-1-carboxamide
CID 126831370
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
2-[cyclohexyl(methyl)amino]-N-[2-(2-ethoxyethoxy)phenyl]acetamide
CID 54817307
(3R)-3-amino-N-(2-phenoxyphenyl)pyrrolidine-1-carboxamide
CID 142326301
(2R)-N-[2-(2-ethoxyethoxy)phenyl]-2-(3-methoxyphenyl)azetidine-1-carboxamide
CID 125168132
(4R)-4-amino-N-(2-phenoxyphenyl)azepane-1-carboxamide
CID 125166844

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide (CID 118791173) is 3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide is CCOCCOc1ccccc1NC(=O)N1CCCC(N)C1.
What is the InChIKey of 3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is NHJNPTHOHZRAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-21-10-11-22-15-8-4-3-7-14(15)18-16(20)19-9-5-6-13(17)12-19/h3-4,7-8,13H,2,5-6,9-12,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide?
3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-ethoxyethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 118791173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).