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

C20H29N3O4 — CID 53168388

IUPAC[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESCc1oc(C2CCN(C(=O)C3CCOC3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C20H29N3O4/c1-14-17(20(25)22-8-3-2-4-9-22)21-18(27-14)15-5-10-23(11-6-15)19(24)16-7-12-26-13-16/h15-16H,2-13H2,1H3
InChIKeyDSVLQUWYNRBRJK-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.35
Rot. Bonds3

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

[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone (PubChem CID 53168388) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone
PubChem CID53168388
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC Name[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone
SMILESCc1oc(C2CCN(C(=O)C3CCOC3)CC2)nc1C(=O)N1CCCCC1
InChIInChI=1S/C20H29N3O4/c1-14-17(20(25)22-8-3-2-4-9-22)21-18(27-14)15-5-10-23(11-6-15)19(24)16-7-12-26-13-16/h15-16H,2-13H2,1H3
InChIKeyDSVLQUWYNRBRJK-UHFFFAOYSA-N
XLogP2.35
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The IUPAC name of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone (CID 53168388) is [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The canonical SMILES for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone is Cc1oc(C2CCN(C(=O)C3CCOC3)CC2)nc1C(=O)N1CCCCC1.
What is the InChIKey of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone?
The InChIKey is DSVLQUWYNRBRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-14-17(20(25)22-8-3-2-4-9-22)21-18(27-14)15-5-10-23(11-6-15)19(24)16-7-12-26-13-16/h15-16H,2-13H2,1H3.
What are the key properties of [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone?
[4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone has a molecular weight of 375.47 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-4-(piperidine-1-carbonyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 53168388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).