N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

C16H20ClN5O2 — CID 71969302

IUPACN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCCOc1ncccc1Cl)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C16H20ClN5O2/c17-12-4-3-6-20-15(12)24-11-9-21-16(23)22-10-2-1-5-13(22)14-18-7-8-19-14/h3-4,6-8,13H,1-2,5,9-11H2,(H,18,19)(H,21,23)
InChIKeyDGRYGFROEQXKPZ-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.77
Rot. Bonds5

About N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide

N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (PubChem CID 71969302) has the molecular formula C16H20ClN5O2 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
PubChem CID71969302
Molecular FormulaC16H20ClN5O2
Molecular Weight349.82 g/mol
Exact Mass349.13
IUPAC NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
SMILESO=C(NCCOc1ncccc1Cl)N1CCCCC1c1ncc[nH]1
InChIInChI=1S/C16H20ClN5O2/c17-12-4-3-6-20-15(12)24-11-9-21-16(23)22-10-2-1-5-13(22)14-18-7-8-19-14/h3-4,6-8,13H,1-2,5,9-11H2,(H,18,19)(H,21,23)
InChIKeyDGRYGFROEQXKPZ-UHFFFAOYSA-N
XLogP2.77
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.77
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

4-(2-chlorophenoxy)-1-[(2R)-2-(1H-imidazol-2-yl)pyrrolidin-1-yl]butan-1-one
CID 97255879
2-(1H-imidazol-2-yl)-N-phenylpyrrolidine-1-carboxamide
CID 75401483
(2S)-2-(1H-imidazol-2-yl)-N-[1-(2-methoxyethyl)pyrazol-3-yl]piperidine-1-carboxamide
CID 96999721
2-(1H-imidazol-2-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 51107826
3-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-1-methyl-1-[[(3S)-1-methylpiperidin-3-yl]methyl]urea
CID 97227031
2-chloro-N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]benzamide
CID 74766924
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-4-ethylpiperazine-1-carboxamide
CID 75381167
(2R)-N-[(2R)-1-ethylsulfonylpropan-2-yl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 124560581
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
CID 119900670
(2S)-N-[2-[ethyl(methyl)amino]phenyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide
CID 97028237
(2S)-2-(1H-imidazol-2-yl)-N-[(1S,2R)-2-methoxycyclohexyl]piperidine-1-carboxamide
CID 124730488
(2R)-2-(1H-imidazol-2-yl)-N-[(1S)-2-methoxy-1-(5-methylfuran-2-yl)ethyl]piperidine-1-carboxamide
CID 124608585

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide (CID 71969302) is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is O=C(NCCOc1ncccc1Cl)N1CCCCC1c1ncc[nH]1.
What is the InChIKey of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
The InChIKey is DGRYGFROEQXKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN5O2/c17-12-4-3-6-20-15(12)24-11-9-21-16(23)22-10-2-1-5-13(22)14-18-7-8-19-14/h3-4,6-8,13H,1-2,5,9-11H2,(H,18,19)(H,21,23).
What are the key properties of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide?
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-2-(1H-imidazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 71969302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).