cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone

C23H39N3O3 — CID 42195314

IUPACcycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCN(C2CCN(C(=O)C3CCCCCC3)CC2)CC1)N1CCOCC1
InChIInChI=1S/C23H39N3O3/c27-22(19-5-3-1-2-4-6-19)25-13-9-21(10-14-25)24-11-7-20(8-12-24)23(28)26-15-17-29-18-16-26/h19-21H,1-18H2
InChIKeyYGQSYIUXYJLCQS-UHFFFAOYSA-N
MW405.58 g/mol
LogP2.52
Rot. Bonds3

About cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone

cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone (PubChem CID 42195314) has the molecular formula C23H39N3O3 and a molecular weight of 405.58 g/mol. Its IUPAC name is cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone
PubChem CID42195314
Molecular FormulaC23H39N3O3
Molecular Weight405.58 g/mol
Exact Mass405.30
IUPAC Namecycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone
SMILESO=C(C1CCN(C2CCN(C(=O)C3CCCCCC3)CC2)CC1)N1CCOCC1
InChIInChI=1S/C23H39N3O3/c27-22(19-5-3-1-2-4-6-19)25-13-9-21(10-14-25)24-11-7-20(8-12-24)23(28)26-15-17-29-18-16-26/h19-21H,1-18H2
InChIKeyYGQSYIUXYJLCQS-UHFFFAOYSA-N
XLogP2.52
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.58
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone (CID 42195314) is cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone is O=C(C1CCN(C2CCN(C(=O)C3CCCCCC3)CC2)CC1)N1CCOCC1.
What is the InChIKey of cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is YGQSYIUXYJLCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N3O3/c27-22(19-5-3-1-2-4-6-19)25-13-9-21(10-14-25)24-11-7-20(8-12-24)23(28)26-15-17-29-18-16-26/h19-21H,1-18H2.
What are the key properties of cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone?
cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 405.58 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cycloheptyl-[4-[4-(morpholine-4-carbonyl)piperidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 42195314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).