(2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone

C23H29N3O4S — CID 69289190

IUPAC(2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3OC3CCCC3)CC2)cn1
InChIInChI=1S/C23H29N3O4S/c1-17-7-8-18(16-24-17)25-11-13-26(14-12-25)23(27)21-15-20(31(2,28)29)9-10-22(21)30-19-5-3-4-6-19/h7-10,15-16,19H,3-6,11-14H2,1-2H3
InChIKeyMHCLVZXMPSVKEC-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.08
Rot. Bonds5

About (2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone

(2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone (PubChem CID 69289190) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is (2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone
PubChem CID69289190
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC Name(2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone
SMILESCc1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3OC3CCCC3)CC2)cn1
InChIInChI=1S/C23H29N3O4S/c1-17-7-8-18(16-24-17)25-11-13-26(14-12-25)23(27)21-15-20(31(2,28)29)9-10-22(21)30-19-5-3-4-6-19/h7-10,15-16,19H,3-6,11-14H2,1-2H3
InChIKeyMHCLVZXMPSVKEC-UHFFFAOYSA-N
XLogP3.08
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(2-cyclohexyloxy-5-methylsulfonylbenzoyl)piperazin-1-yl]-1,3-thiazole-5-carbonitrile
CID 21100209
(2-cyclobutyloxy-5-methylsulfonylphenyl)-[4-(2-fluoro-4-methylsulfonylphenyl)piperazin-1-yl]methanone
CID 69291839
[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 69291158
[4-(5-butylsulfonyl-1,3-thiazol-2-yl)piperazin-1-yl]-[2-(cyclopentylmethoxy)-5-methylsulfonylphenyl]methanone
CID 11599452
[2-(cyclopropylmethoxy)-5-methylsulfonylphenyl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 69291063
[2-(cyclobutylmethoxy)-5-methylsulfonylphenyl]-[4-[2-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 69291186
[4-[3-fluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-[5-methylsulfonyl-2-(1,1,1-trifluoropropan-2-yloxy)phenyl]methanone
CID 87668531
(2-cyclopentyloxy-5-nitrophenyl)-[4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 69039574
(5-methylsulfonyl-2-morpholin-4-ylphenyl)-[4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]methanone
CID 11488879
[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[4-[5-(trifluoromethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 11699386
2-fluoro-4-[4-(5-methylsulfonyl-2-propan-2-yloxybenzoyl)piperazin-1-yl]benzaldehyde
CID 11190100
4-[4-(2-butan-2-yloxy-5-methylsulfonylbenzoyl)piperazin-1-yl]benzonitrile
CID 69290137

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of (2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone (CID 69289190) is (2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone is Cc1ccc(N2CCN(C(=O)c3cc(S(C)(=O)=O)ccc3OC3CCCC3)CC2)cn1.
What is the InChIKey of (2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is MHCLVZXMPSVKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-17-7-8-18(16-24-17)25-11-13-26(14-12-25)23(27)21-15-20(31(2,28)29)9-10-22(21)30-19-5-3-4-6-19/h7-10,15-16,19H,3-6,11-14H2,1-2H3.
What are the key properties of (2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone?
(2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 443.57 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyloxy-5-methylsulfonylphenyl)-[4-(6-methyl-3-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 69289190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).