(3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine

C20H27N3O — CID 99931645

IUPAC(3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine
SMILESCn1ccnc1[C@@H]1CCCN(Cc2ccc3c(c2)CC(C)(C)O3)C1
InChIInChI=1S/C20H27N3O/c1-20(2)12-17-11-15(6-7-18(17)24-20)13-23-9-4-5-16(14-23)19-21-8-10-22(19)3/h6-8,10-11,16H,4-5,9,12-14H2,1-3H3/t16-/m1/s1
InChIKeyQEWOFKPRIGHRIQ-MRXNPFEDSA-N
MW325.46 g/mol
LogP3.51
Rot. Bonds3

About (3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine

(3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine (PubChem CID 99931645) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine.

Molecular Properties

Compound Name(3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine
PubChem CID99931645
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine
SMILESCn1ccnc1[C@@H]1CCCN(Cc2ccc3c(c2)CC(C)(C)O3)C1
InChIInChI=1S/C20H27N3O/c1-20(2)12-17-11-15(6-7-18(17)24-20)13-23-9-4-5-16(14-23)19-21-8-10-22(19)3/h6-8,10-11,16H,4-5,9,12-14H2,1-3H3/t16-/m1/s1
InChIKeyQEWOFKPRIGHRIQ-MRXNPFEDSA-N
XLogP3.51
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-N,N-dimethylazepan-4-amine
CID 56916128
(4R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-N,N-dimethylazepan-4-amine
CID 95729180
3-(1-methylimidazol-2-yl)-1-[(4-methylsulfonylphenyl)methyl]piperidine
CID 70754233
(3aS,6aS)-5-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole
CID 70746185
(5R,6R)-5-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one
CID 154802647
1-[(3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]pyrrolidin-3-yl]-4-ethylpiperazine
CID 97159105
(3S)-1-[(2,6-dichlorophenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96575384
4-[1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidin-4-yl]-5-methylpyrimidine
CID 74236987
1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]piperidine-4-carboxamide
CID 126794663
5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 96577271
(3S)-1-[(2-methoxyphenyl)methyl]-3-(1-methylimidazol-2-yl)piperidine
CID 96573404
(3S)-1-(cyclohexylmethyl)-3-(1-methylimidazol-2-yl)piperidine
CID 96578497

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
The IUPAC name of (3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine (CID 99931645) is (3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine.
What is the SMILES notation for (3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
The canonical SMILES for (3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine is Cn1ccnc1[C@@H]1CCCN(Cc2ccc3c(c2)CC(C)(C)O3)C1.
What is the InChIKey of (3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
The InChIKey is QEWOFKPRIGHRIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N3O/c1-20(2)12-17-11-15(6-7-18(17)24-20)13-23-9-4-5-16(14-23)19-21-8-10-22(19)3/h6-8,10-11,16H,4-5,9,12-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine?
(3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine has a molecular weight of 325.46 g/mol, XLogP of 3.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]-3-(1-methylimidazol-2-yl)piperidine is sourced from PubChem (CID 99931645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).