N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide

C17H22N4O2 — CID 119862178

IUPACN-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCn1ccnc1)C1CCCNC1
InChIInChI=1S/C17H22N4O2/c22-17(14-4-3-7-18-12-14)20-15-5-1-2-6-16(15)23-11-10-21-9-8-19-13-21/h1-2,5-6,8-9,13-14,18H,3-4,7,10-12H2,(H,20,22)
InChIKeyZNLVOXNFTWPTRA-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.90
Rot. Bonds6

About N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide

N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide (PubChem CID 119862178) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
PubChem CID119862178
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC NameN-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccccc1OCCn1ccnc1)C1CCCNC1
InChIInChI=1S/C17H22N4O2/c22-17(14-4-3-7-18-12-14)20-15-5-1-2-6-16(15)23-11-10-21-9-8-19-13-21/h1-2,5-6,8-9,13-14,18H,3-4,7,10-12H2,(H,20,22)
InChIKeyZNLVOXNFTWPTRA-UHFFFAOYSA-N
XLogP1.90
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2-imidazol-1-ylethoxy)phenyl]morpholine-2-carboxamide
CID 119862204
(3R)-N-[2-(3-amino-3-oxopropoxy)phenyl]piperidine-3-carboxamide
CID 81118686
N-(2-ethoxyphenyl)piperidine-3-carboxamide
CID 18072790
5-cyclopropyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyrazolidine-3-carboxamide
CID 75613738
(3S)-N-(2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81123663
N-(2-phenylmethoxyphenyl)piperidine-3-carboxamide
CID 54794739
2-(cyclopropylmethylamino)-N-[2-(2-imidazol-1-ylethoxy)phenyl]acetamide;dihydrochloride
CID 119862195
(3R)-N-(3-chloro-2-imidazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119583
6-cyclobutyl-N-[2-(2-imidazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
CID 166260625
(E)-3-(4-fluorophenyl)-N-[2-(2-imidazol-1-ylethoxy)phenyl]prop-2-enamide
CID 47789776
1-[2-(2-imidazol-1-ylethoxy)phenyl]-3-thiophen-3-ylurea
CID 99833540
N-[2-(2-imidazol-1-ylethoxy)phenyl]-4-phenylbenzamide
CID 47789751

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide (CID 119862178) is N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide is O=C(Nc1ccccc1OCCn1ccnc1)C1CCCNC1.
What is the InChIKey of N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide?
The InChIKey is ZNLVOXNFTWPTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(14-4-3-7-18-12-14)20-15-5-1-2-6-16(15)23-11-10-21-9-8-19-13-21/h1-2,5-6,8-9,13-14,18H,3-4,7,10-12H2,(H,20,22).
What are the key properties of N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide?
N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide has a molecular weight of 314.39 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-imidazol-1-ylethoxy)phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 119862178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).