(4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone

C14H22N4O — CID 119868706

IUPAC(4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C14H22N4O/c19-14(13-3-1-2-6-16-13)17-8-4-12(5-9-17)18-10-7-15-11-18/h7,10-13,16H,1-6,8-9H2/t13-/m1/s1
InChIKeySKBFTYBKTSGHLZ-CYBMUJFWSA-N
MW262.36 g/mol
LogP1.19
Rot. Bonds2

About (4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone

(4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone (PubChem CID 119868706) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone.

Molecular Properties

Compound Name(4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
PubChem CID119868706
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone
SMILESO=C([C@H]1CCCCN1)N1CCC(n2ccnc2)CC1
InChIInChI=1S/C14H22N4O/c19-14(13-3-1-2-6-16-13)17-8-4-12(5-9-17)18-10-7-15-11-18/h7,10-13,16H,1-6,8-9H2/t13-/m1/s1
InChIKeySKBFTYBKTSGHLZ-CYBMUJFWSA-N
XLogP1.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

azocan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119676414
azepan-1-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 119669545
azepan-2-yl-(4-piperidin-1-ylpiperidin-1-yl)methanone
CID 64563256
(4-methylpiperidin-1-yl)-piperidin-2-ylmethanone;hydrochloride
CID 2794697
azepan-1-yl(azepan-2-yl)methanone
CID 64562203
azepan-1-yl-[(2R)-piperidin-2-yl]methanone
CID 7183049
(4-aminopiperidin-1-yl)-[(2S)-piperidin-2-yl]methanone
CID 154266528
[4-(dimethylamino)piperidin-1-yl]-[(2S)-piperidin-2-yl]methanone;dihydrochloride
CID 119958508
morpholin-4-yl-[(2S)-piperidin-2-yl]methanone;hydrochloride
CID 178201427
azepan-2-yl-(4-cyclopentylpiperazin-1-yl)methanone
CID 64570539
[(2R)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707243
[(2S)-piperidin-2-yl]-[4-(trifluoromethyl)piperidin-1-yl]methanone;hydrochloride
CID 119707264

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone?
The IUPAC name of (4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone (CID 119868706) is (4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone.
What is the SMILES notation for (4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone?
The canonical SMILES for (4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone is O=C([C@H]1CCCCN1)N1CCC(n2ccnc2)CC1.
What is the InChIKey of (4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone?
The InChIKey is SKBFTYBKTSGHLZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(13-3-1-2-6-16-13)17-8-4-12(5-9-17)18-10-7-15-11-18/h7,10-13,16H,1-6,8-9H2/t13-/m1/s1.
What are the key properties of (4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone?
(4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylpiperidin-1-yl)-[(2R)-piperidin-2-yl]methanone is sourced from PubChem (CID 119868706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).