1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone

C21H27N3O3S — CID 53168395

IUPAC1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccs3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C21H27N3O3S/c1-15-19(21(26)24-9-3-2-4-10-24)22-20(27-15)16-7-11-23(12-8-16)18(25)14-17-6-5-13-28-17/h5-6,13,16H,2-4,7-12,14H2,1H3
InChIKeyQFTCPTHVZQQGPX-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.62
Rot. Bonds4

About 1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone

1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 53168395) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID53168395
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCc1oc(C2CCN(C(=O)Cc3cccs3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C21H27N3O3S/c1-15-19(21(26)24-9-3-2-4-10-24)22-20(27-15)16-7-11-23(12-8-16)18(25)14-17-6-5-13-28-17/h5-6,13,16H,2-4,7-12,14H2,1H3
InChIKeyQFTCPTHVZQQGPX-UHFFFAOYSA-N
XLogP3.62
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone (CID 53168395) is 1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is Cc1oc(C2CCN(C(=O)Cc3cccs3)CC2)nc1C(=O)N1CCCCC1.
What is the InChIKey of 1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is QFTCPTHVZQQGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-15-19(21(26)24-9-3-2-4-10-24)22-20(27-15)16-7-11-23(12-8-16)18(25)14-17-6-5-13-28-17/h5-6,13,16H,2-4,7-12,14H2,1H3.
What are the key properties of 1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 401.53 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 53168395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).