cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone

C20H27N3O3 — CID 110631087

IUPACcyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone
SMILESCC1COCCN1C(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-15-14-26-13-12-23(15)20(25)17-4-6-18(7-5-17)21-8-10-22(11-9-21)19(24)16-2-3-16/h4-7,15-16H,2-3,8-14H2,1H3
InChIKeyCUXAYXGKRXJIFP-UHFFFAOYSA-N
MW357.45 g/mol
LogP1.61
Rot. Bonds3

About cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone

cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone (PubChem CID 110631087) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone
PubChem CID110631087
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Namecyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone
SMILESCC1COCCN1C(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C20H27N3O3/c1-15-14-26-13-12-23(15)20(25)17-4-6-18(7-5-17)21-8-10-22(11-9-21)19(24)16-2-3-16/h4-7,15-16H,2-3,8-14H2,1H3
InChIKeyCUXAYXGKRXJIFP-UHFFFAOYSA-N
XLogP1.61
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone (CID 110631087) is cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone is CC1COCCN1C(=O)c1ccc(N2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is CUXAYXGKRXJIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15-14-26-13-12-23(15)20(25)17-4-6-18(7-5-17)21-8-10-22(11-9-21)19(24)16-2-3-16/h4-7,15-16H,2-3,8-14H2,1H3.
What are the key properties of cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone?
cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 357.45 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[4-(3-methylmorpholine-4-carbonyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110631087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).