(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

C19H23Cl2N3O — CID 90492826

IUPAC(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H23Cl2N3O/c1-13(2)18-22-5-8-24(18)12-14-3-6-23(7-4-14)19(25)15-9-16(20)11-17(21)10-15/h5,8-11,13-14H,3-4,6-7,12H2,1-2H3
InChIKeyLSGQKRBGMAUBIP-UHFFFAOYSA-N
MW380.32 g/mol
LogP4.87
Rot. Bonds4

About (3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone

(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (PubChem CID 90492826) has the molecular formula C19H23Cl2N3O and a molecular weight of 380.32 g/mol. Its IUPAC name is (3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
PubChem CID90492826
Molecular FormulaC19H23Cl2N3O
Molecular Weight380.32 g/mol
Exact Mass379.12
IUPAC Name(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
SMILESCC(C)c1nccn1CC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1
InChIInChI=1S/C19H23Cl2N3O/c1-13(2)18-22-5-8-24(18)12-14-3-6-23(7-4-14)19(25)15-9-16(20)11-17(21)10-15/h5,8-11,13-14H,3-4,6-7,12H2,1-2H3
InChIKeyLSGQKRBGMAUBIP-UHFFFAOYSA-N
XLogP4.87
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90493403
(4-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493400
(5-chloro-2-methoxyphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493407
1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 90492830
(4-piperidin-1-ylsulfonylphenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492906
(5-bromofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90493421
3-cyclopentyl-1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]propan-1-one
CID 90492840
1-phenyl-4-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butane-1,4-dione
CID 90492814
6,7-dimethyl-2-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]chromen-4-one
CID 90493450
[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-quinoxalin-6-ylmethanone
CID 163351656
5-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 90493357
(7-methoxy-1-benzofuran-2-yl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 52992563

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The IUPAC name of (3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone (CID 90492826) is (3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is CC(C)c1nccn1CC1CCN(C(=O)c2cc(Cl)cc(Cl)c2)CC1.
What is the InChIKey of (3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
The InChIKey is LSGQKRBGMAUBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N3O/c1-13(2)18-22-5-8-24(18)12-14-3-6-23(7-4-14)19(25)15-9-16(20)11-17(21)10-15/h5,8-11,13-14H,3-4,6-7,12H2,1-2H3.
What are the key properties of (3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone?
(3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone has a molecular weight of 380.32 g/mol, XLogP of 4.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 90492826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).