(2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

C18H29N3OS — CID 91216608

IUPAC(2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1sc(N2CCCCC2)cc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C18H29N3OS/c1-14(2)19-9-11-21(12-10-19)18(22)16-13-17(23-15(16)3)20-7-5-4-6-8-20/h13-14H,4-12H2,1-3H3
InChIKeyRFGSSORPQZUNHD-UHFFFAOYSA-N
MW335.52 g/mol
LogP3.21
Rot. Bonds3

About (2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

(2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (PubChem CID 91216608) has the molecular formula C18H29N3OS and a molecular weight of 335.52 g/mol. Its IUPAC name is (2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
PubChem CID91216608
Molecular FormulaC18H29N3OS
Molecular Weight335.52 g/mol
Exact Mass335.20
IUPAC Name(2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
SMILESCc1sc(N2CCCCC2)cc1C(=O)N1CCN(C(C)C)CC1
InChIInChI=1S/C18H29N3OS/c1-14(2)19-9-11-21(12-10-19)18(22)16-13-17(23-15(16)3)20-7-5-4-6-8-20/h13-14H,4-12H2,1-3H3
InChIKeyRFGSSORPQZUNHD-UHFFFAOYSA-N
XLogP3.21
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.52
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone (CID 91216608) is (2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is Cc1sc(N2CCCCC2)cc1C(=O)N1CCN(C(C)C)CC1.
What is the InChIKey of (2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
The InChIKey is RFGSSORPQZUNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3OS/c1-14(2)19-9-11-21(12-10-19)18(22)16-13-17(23-15(16)3)20-7-5-4-6-8-20/h13-14H,4-12H2,1-3H3.
What are the key properties of (2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone?
(2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone has a molecular weight of 335.52 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-5-piperidin-1-ylthiophen-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 91216608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).