[3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone

C14H21N3O2 — CID 70735836

IUPAC[3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H21N3O2/c18-14(11-3-8-19-9-4-11)17-7-1-2-12(10-17)13-15-5-6-16-13/h5-6,11-12H,1-4,7-10H2,(H,15,16)
InChIKeyWKCSOUKUUIYFES-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.54
Rot. Bonds2

About [3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone

[3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 70735836) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
PubChem CID70735836
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone
SMILESO=C(C1CCOCC1)N1CCCC(c2ncc[nH]2)C1
InChIInChI=1S/C14H21N3O2/c18-14(11-3-8-19-9-4-11)17-7-1-2-12(10-17)13-15-5-6-16-13/h5-6,11-12H,1-4,7-10H2,(H,15,16)
InChIKeyWKCSOUKUUIYFES-UHFFFAOYSA-N
XLogP1.54
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl {2-[3-(1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}carbamate
CID 70708569
1-(3-ethoxypropanoyl)-3-(1H-imidazol-2-yl)piperidine
CID 70728567
3-(1H-imidazol-2-yl)-1-[(2-methoxyethoxy)acetyl]piperidine
CID 70732754
3-(1H-imidazol-2-yl)-1-(4,4,4-trifluorobutanoyl)piperidine
CID 70783442
[1-(2-ethoxyethyl)cyclopentyl]-[3-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 84587791
3-{2-[4-(1-ethyl-1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl}morpholine
CID 72847432
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-[2-(4-morpholinyl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 72872983
3-{2-[4-(1H-imidazol-2-yl)-1-piperidinyl]-2-oxoethyl}morpholine
CID 70781326
1-[3-ethyl-4-(1H-imidazol-2-ylmethylamino)piperidin-1-yl]-2-methylpropan-1-one
CID 71927379
N-[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]oxane-4-carboxamide
CID 95765543
N-(1H-imidazol-2-ylmethyl)-5-methyloxolane-3-carboxamide
CID 114826329
1-[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-2-propoxyethanone
CID 132356722

Frequently Asked Questions

What is the IUPAC name of [3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone (CID 70735836) is [3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone is O=C(C1CCOCC1)N1CCCC(c2ncc[nH]2)C1.
What is the InChIKey of [3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is WKCSOUKUUIYFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c18-14(11-3-8-19-9-4-11)17-7-1-2-12(10-17)13-15-5-6-16-13/h5-6,11-12H,1-4,7-10H2,(H,15,16).
What are the key properties of [3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone?
[3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 263.34 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1H-imidazol-2-yl)piperidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 70735836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).