N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

C24H30N4O4 — CID 55495315

IUPACN-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C24H30N4O4/c29-22(16-20-6-3-5-19-4-1-2-7-21(19)20)25-17-23(30)27-8-10-28(11-9-27)24(31)18-26-12-14-32-15-13-26/h1-7H,8-18H2,(H,25,29)
InChIKeyUBXCQRYPFNKCRD-UHFFFAOYSA-N
MW438.53 g/mol
LogP0.50
Rot. Bonds6

About N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide

N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (PubChem CID 55495315) has the molecular formula C24H30N4O4 and a molecular weight of 438.53 g/mol. Its IUPAC name is N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
PubChem CID55495315
Molecular FormulaC24H30N4O4
Molecular Weight438.53 g/mol
Exact Mass438.23
IUPAC NameN-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide
SMILESO=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1
InChIInChI=1S/C24H30N4O4/c29-22(16-20-6-3-5-19-4-1-2-7-21(19)20)25-17-23(30)27-8-10-28(11-9-27)24(31)18-26-12-14-32-15-13-26/h1-7H,8-18H2,(H,25,29)
InChIKeyUBXCQRYPFNKCRD-UHFFFAOYSA-N
XLogP0.50
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.53
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The IUPAC name of N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide (CID 55495315) is N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide.
What is the SMILES notation for N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The canonical SMILES for N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is O=C(Cc1cccc2ccccc12)NCC(=O)N1CCN(C(=O)CN2CCOCC2)CC1.
What is the InChIKey of N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
The InChIKey is UBXCQRYPFNKCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O4/c29-22(16-20-6-3-5-19-4-1-2-7-21(19)20)25-17-23(30)27-8-10-28(11-9-27)24(31)18-26-12-14-32-15-13-26/h1-7H,8-18H2,(H,25,29).
What are the key properties of N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide?
N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide has a molecular weight of 438.53 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-2-oxoethyl]-2-naphthalen-1-ylacetamide is sourced from PubChem (CID 55495315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).