(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

C22H30N4O — CID 91763764

IUPAC(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCN1Cc1ccccc1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C22H30N4O/c27-22(25-13-9-20(10-14-25)16-24-15-11-23-18-24)21-8-4-5-12-26(21)17-19-6-2-1-3-7-19/h1-3,6-7,11,15,18,20-21H,4-5,8-10,12-14,16-17H2
InChIKeyFNHAWUZXSSCSQH-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.18
Rot. Bonds5

About (1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 91763764) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is (1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID91763764
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(C1CCCCN1Cc1ccccc1)N1CCC(Cn2ccnc2)CC1
InChIInChI=1S/C22H30N4O/c27-22(25-13-9-20(10-14-25)16-24-15-11-23-18-24)21-8-4-5-12-26(21)17-19-6-2-1-3-7-19/h1-3,6-7,11,15,18,20-21H,4-5,8-10,12-14,16-17H2
InChIKeyFNHAWUZXSSCSQH-UHFFFAOYSA-N
XLogP3.18
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-benzylpyrrolidin-2-yl)-pyrrolidin-1-ylmethanone
CID 23282646
(1-benzylpyrrolidin-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 60578972
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[(2R)-1-benzylpiperidin-2-yl]methanone
CID 124781007
[(2R)-1-benzylpiperidin-2-yl]-(4-pyrimidin-4-ylpiperidin-1-yl)methanone
CID 124755369
(1-benzylpyrrolidin-2-yl)-[4-(methylaminomethyl)piperidin-1-yl]methanone
CID 119546904
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone
CID 119519896
[4-(1-aminoethyl)piperidin-1-yl]-(1-benzylpiperidin-2-yl)methanone;dihydrochloride
CID 119519895
[4-(imidazol-1-ylmethyl)piperidin-1-yl]-(2-phenyltriazol-4-yl)methanone
CID 90493140
(1-benzylpiperidin-2-yl)-[4-(3-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 70781321
(1-benzylpiperidin-2-yl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110022869
N-[1-(1-benzylpyrrolidine-2-carbonyl)piperidin-4-yl]acetamide
CID 49399454
N-[2-[4-(imidazol-1-ylmethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 90492606

Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (CID 91763764) is (1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(C1CCCCN1Cc1ccccc1)N1CCC(Cn2ccnc2)CC1.
What is the InChIKey of (1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is FNHAWUZXSSCSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c27-22(25-13-9-20(10-14-25)16-24-15-11-23-18-24)21-8-4-5-12-26(21)17-19-6-2-1-3-7-19/h1-3,6-7,11,15,18,20-21H,4-5,8-10,12-14,16-17H2.
What are the key properties of (1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
(1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 366.51 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-2-yl)-[4-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 91763764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).